1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
TL;DR: 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester (CAS 28625-40-3) is a chemical compound with molecular formula C23H32O3 and molecular weight 356.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, methyl 6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate, methyl 6-acetyl-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C23H32O3 |
|---|---|
| Molecular Weight | 356.24 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.23514 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 28625-40-3 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)OC)C)C(=O)C |
| InChIKey | HFNSWUWOTLFFOE-UHFFFAOYSA-N |
Product Overview
1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester (CAS 28625-40-3), with molecular formula C23H32O3 and molecular weight 356.24 g/mol. IUPAC: methyl 6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
Property Insights of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
The XLogP value of 5.6 indicates that 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester?
The CAS number of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester is 28625-40-3.
What is the molecular formula of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester?
The molecular formula of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester is C23H32O3.
What is the molecular weight of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester?
The molecular weight of 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester is 356.24 g/mol.
Where can I buy 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester?
You can request a quote for 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenanthrenecarboxylic acid, 6-acetyl-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.