Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate
TL;DR: Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate (CAS 83353-97-3) is a chemical compound with molecular formula C21H29ClO3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate, 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,3alpha,4abeta,10aalpha))-, Methyl 14-chloro-2alpha-hydroxyabieta-8,11,13-trien-18-oate, methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H29ClO3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1805 |
| Heavy Atoms | 25 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 83353-97-3 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@]3(C[C@H](C[C@@]([C@@H]3CC2)(C)C(=O)OC)O)C)Cl |
| InChIKey | OCIGNQIZVJGTBR-HYPSKJLKSA-N |
Product Overview
Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate (CAS 83353-97-3), with molecular formula C21H29ClO3 and molecular weight 364.18 g/mol. IUPAC: methyl (1R,3R,4aS,10aR)-8-chloro-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate
Property Insights of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate
The XLogP value of 5.2 indicates that Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate has 1 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 Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate?
The CAS number of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate is 83353-97-3.
What is the molecular formula of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate?
The molecular formula of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate is C21H29ClO3.
What is the molecular weight of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate?
The molecular weight of Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate is 364.18 g/mol.
Where can I buy Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate?
You can request a quote for Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 14-chloro-2-hydroxyabieta-8,11,13-trien-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.