![(3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester structure](/static/products/1017/101758-79-6.webp)
(3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester
TL;DR: (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester (CAS 101758-79-6) is a chemical compound with molecular formula C25H41NO4 and molecular weight 419.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[5-hydroxy-4-[3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate
Also Known As: Cyclopenta[b]pyrrole-2-pentanoic acid, 3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-3-(cis-4-propylcyclohexyl)-1-propen-1-yl]-, methylester, (3aR,4R,5R,6aS)-;Cyclopenta[b]pyrrole-2-pentanoic acid, 3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-3-(cis-4-propylcyclohexyl)-1-propen-1-yl]-, methylester, (3aR,4R,5R,6aS)-, (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester, Methyl 5-[5-hydroxy-4-[3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate
| Molecular Formula | C25H41NO4 |
|---|---|
| Molecular Weight | 419.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.30356 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 101758-79-6 |
|---|---|
| SMILES | CCCC1CCC(CC1)C(C=CC2C(CC3C2CC(=N3)CCCCC(=O)OC)O)O |
| InChIKey | UQEOPLABKYFAJH-UHFFFAOYSA-N |
Product Overview
(3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester (CAS 101758-79-6), with molecular formula C25H41NO4 and molecular weight 419.30 g/mol. IUPAC: methyl 5-[5-hydroxy-4-[3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate.
Chemical Property Profile of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester
Property Insights of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester
The XLogP value of 3.6 indicates that (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester. Following Lipinski's Rule of Five, (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester?
The CAS number of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester is 101758-79-6.
What is the molecular formula of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester?
The molecular formula of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester is C25H41NO4.
What is the molecular weight of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester?
The molecular weight of (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester is 419.30 g/mol.
Where can I buy (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester?
You can request a quote for (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3aR)-3,3abeta,4,5,6,6abeta-Hexahydro-5alpha-hydroxy-4beta-[(1E,3S)-3-hydroxy-3-(4alpha-propylcyclohexan-1alpha-yl)-1-propenyl]cyclopenta[b]pyrrole-2-pentanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.