4-Azidoestradiol
TL;DR: 4-Azidoestradiol (CAS 41164-45-8) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-4-azido-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 4-Azidoestradiol, 4-Azidoestra-1,3,5(10)-triene-3,17beta-diol, 4-Azidoestra-1,3,5(10)-triene-3,17-diol, (8R,9S,13S,14S,17S)-4-azido-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol, 4-azido-, (17beta)-
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 4.551 |
| Topological Polar Surface Area | 89.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 697.75226 |
Chemical Identifiers
| CAS Number | 41164-45-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4N=[N+]=[N-])O |
Product Overview
4-Azidoestradiol (CAS 41164-45-8), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: (8R,9S,13S,14S,17S)-4-azido-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 4-Azidoestradiol
Property Insights of 4-Azidoestradiol
The XLogP value of 4.551 indicates that 4-Azidoestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azidoestradiol. Following Lipinski's Rule of Five, 4-Azidoestradiol has 2 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 4-Azidoestradiol?
The CAS number of 4-Azidoestradiol is 41164-45-8.
What is the molecular formula of 4-Azidoestradiol?
The molecular formula of 4-Azidoestradiol is C18H23N3O2.
What is the molecular weight of 4-Azidoestradiol?
The molecular weight of 4-Azidoestradiol is 313.18 g/mol.
Where can I buy 4-Azidoestradiol?
You can request a quote for 4-Azidoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.