9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide
TL;DR: 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide (CAS 5365-17-3) is a chemical compound with molecular formula C21H29IN2O and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-ylcyclopentan-1-ol iodide
Also Known As: 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide, 1-{[1-hydroxy-3-(propan-2-yl)cyclopentyl]methyl}-2-methyl-9,9a-dihydro-4ah-, A-carbolin-2-ium iodide, 1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-ylcyclopentan-1-ol iodide, 1-{[1-Hydroxy-3-(propan-2-yl)cyclopentyl]methyl}-2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium iodide
| Molecular Formula | C21H29IN2O |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 0.7562 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.13245 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 5365-17-3 |
|---|---|
| SMILES | CC(C)C1CCC(C1)(CC2=[N+](C=CC3C2NC4=CC=CC=C34)C)O.[I-] |
| InChIKey | UTIDCFWWGRVLEI-UHFFFAOYSA-M |
Product Overview
9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide (CAS 5365-17-3), with molecular formula C21H29IN2O and molecular weight 452.13 g/mol. IUPAC: 1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-ylcyclopentan-1-ol iodide.
Chemical Property Profile of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide
Property Insights of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide
The XLogP value of 0.7562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide. With a topological polar surface area (TPSA) of 35.3 Ų, 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide has 2 hydrogen bond donor(s) and 3 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 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide?
The CAS number of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide is 5365-17-3.
What is the molecular formula of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide?
The molecular formula of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide is C21H29IN2O.
What is the molecular weight of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide?
The molecular weight of 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide is 452.13 g/mol.
Where can I buy 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide?
You can request a quote for 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 9H-Pyrido(3,4-b)indolium, 4a,9a-dihydro-1-(1-hydroxy-3-isopropylcyclopentylmethyl)-2-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.