脱氧葛雌素
TL;DR: 脱氧葛雌素 (CAS 261963-67-1) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氧葛雌素
(1S,3S,13R,16R,17R,18R)-7,16,17-trihydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one
Also Known As: deoxymiroestrol, deoxy-miroestrol, (+)-Deoxymiroesterol, SID:53788395, J1.491.291F
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 2.109 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 825.3755 |
Chemical Identifiers
| CAS Number | 261963-67-1 |
|---|---|
| SMILES | CC1([C@H]2C[C@]3(CC(=O)[C@H]([C@@H]2[C@H]3O)C4=COC5=C([C@H]41)C=CC(=C5)O)O)C |
Product Overview
脱氧葛雌素 (CAS 261963-67-1), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: (1S,3S,13R,16R,17R,18R)-7,16,17-trihydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one.
Chemical Property Profile of 脱氧葛雌素
Property Insights of 脱氧葛雌素
The XLogP value of 2.109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 脱氧葛雌素. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 脱氧葛雌素. Following Lipinski's Rule of Five, 脱氧葛雌素 has 3 hydrogen bond donor(s) and 5 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 脱氧葛雌素?
The CAS number of 脱氧葛雌素 is 261963-67-1.
What is the molecular formula of 脱氧葛雌素?
The molecular formula of 脱氧葛雌素 is C20H22O5.
What is the molecular weight of 脱氧葛雌素?
The molecular weight of 脱氧葛雌素 is 342.15 g/mol.
Where can I buy 脱氧葛雌素?
You can request a quote for 脱氧葛雌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氧葛雌素?
Yes, KEHONG BIO provides custom synthesis services for 脱氧葛雌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.