methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
TL;DR: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate (CAS 83353-96-2) is a chemical compound with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate, 1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3alpha,4abeta,10aalpha))-, METHYL (1R,3S,4AS,10AS)-8-CHLORO-3-HYDROXY-4A-METHYL-7-(PROPAN-2-YL)-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLATE, Methyl 8-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, methyl(1r,3s,4as,10as)-8-chloro-3-hydroxy-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 83353-96-2 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@]3(C[C@H](C[C@H]([C@@H]3CC2)C(=O)OC)O)C)Cl |
| InChIKey | BVQJBDMAKZBJGP-ODPGBAFUSA-N |
Product Overview
methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate (CAS 83353-96-2), with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol. IUPAC: methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Property Insights of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
The XLogP value of 4.8 indicates that methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate 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 (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate has 1 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 methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate?
The CAS number of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate is 83353-96-2.
What is the molecular formula of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate?
The molecular formula of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate is C20H27ClO3.
What is the molecular weight of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate?
The molecular weight of methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate is 350.16 g/mol.
Where can I buy methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate?
You can request a quote for methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1R,3S,4aS,10aS)-8-chloro-3-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.