Org 31806
TL;DR: Org 31806 (CAS 14545-93-8) is a chemical compound with molecular formula C30H39NO2 and molecular weight 445.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Also Known As: Org 31806, 11-(4-Dimethylaminophenyl)-7-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3H)-furan)-3-one, (7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one, Spiro(estra-4,9-diene-17,2'(3'H)-furan)-3-one, 11-(4-(dimethylamino)phenyl)-4',5'-dihydro-7-methyl-, (7beta,11beta,17beta)-, spiro(estra-4,9-diene-17,2'(3'h)-furan)-3-one, 11-(4-(dimethylamino)phenyl)-4',5'-dihydro-7-methyl-,(7
| Molecular Formula | C30H39NO2 |
|---|---|
| Molecular Weight | 445.30 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.29807 |
| Heavy Atoms | 33 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 14545-93-8 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=O)CCC2=C3[C@@H]1[C@@H]4CC[C@]5([C@]4(C[C@@H]3C6=CC=C(C=C6)N(C)C)C)CCCO5 |
| InChIKey | WFPOBMHQGIPWFB-GCLUAJDJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Org 31806 (CAS 14545-93-8), with molecular formula C30H39NO2 and molecular weight 445.30 g/mol. IUPAC: (7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one.
Chemical Property Profile of Org 31806
Property Insights of Org 31806
The XLogP value of 4.5 indicates that Org 31806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Org 31806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 31806 has 0 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 Org 31806?
The CAS number of Org 31806 is 14545-93-8.
What is the molecular formula of Org 31806?
The molecular formula of Org 31806 is C30H39NO2.
What is the molecular weight of Org 31806?
The molecular weight of Org 31806 is 445.30 g/mol.
Where can I buy Org 31806?
You can request a quote for Org 31806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 31806?
Yes, KEHONG BIO provides custom synthesis services for Org 31806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.