4-甲氧基雌三醇
TL;DR: 4-甲氧基雌三醇 (CAS 101534-41-2) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基雌三醇
(8R,9S,13S,14S,16R,17R)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: 4-methoxyestriol, (6aR,9R,10aR)-1,3-dibromo-9-(hydroxymethyl)-5a-methoxy-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one, (6aR,9R,10aR)-1,3-dichloro-5a-ethoxy-9-(hydroxymethyl)-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one, (6aR,9R,10aR)-1,3-dichloro-9-(hydroxymethyl)-5a-methoxy-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one, (6aR,9R,10aR)-1-chloro-5a-ethoxy-9-(hydroxymethyl)-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 2.5886 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 628.0408 |
Chemical Identifiers
| CAS Number | 101534-41-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4OC)O |
Product Overview
4-甲氧基雌三醇 (CAS 101534-41-2), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of 4-甲氧基雌三醇
Property Insights of 4-甲氧基雌三醇
The XLogP value of 2.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基雌三醇. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基雌三醇. Following Lipinski's Rule of Five, 4-甲氧基雌三醇 has 3 hydrogen bond donor(s) and 4 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 4-甲氧基雌三醇?
The CAS number of 4-甲氧基雌三醇 is 101534-41-2.
What is the molecular formula of 4-甲氧基雌三醇?
The molecular formula of 4-甲氧基雌三醇 is C19H26O4.
What is the molecular weight of 4-甲氧基雌三醇?
The molecular weight of 4-甲氧基雌三醇 is 318.18 g/mol.
Where can I buy 4-甲氧基雌三醇?
You can request a quote for 4-甲氧基雌三醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基雌三醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基雌三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.