2-(4'-Carboxyphenylazo)estriol
TL;DR: 2-(4'-Carboxyphenylazo)estriol (CAS 57266-76-9) is a chemical compound with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid
Also Known As: 2-(4'-Carboxyphenylazo)estriol, 4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid, Benzoic acid, 4-(((16alpha,17beta)-3,16,17-trihydroxyestra-1,3,5(10)-trien-2-yl)azo)-
| Molecular Formula | C25H28N2O5 |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.19983 |
| Heavy Atoms | 32 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 57266-76-9 |
|---|---|
| SMILES | C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=CC(=C(C=C34)N=NC5=CC=C(C=C5)C(=O)O)O |
| InChIKey | OZDMVAFGZRILNA-ATEQLTFSSA-N |
Product Overview
2-(4'-Carboxyphenylazo)estriol (CAS 57266-76-9), with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol. IUPAC: 4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid.
Chemical Property Profile of 2-(4'-Carboxyphenylazo)estriol
Property Insights of 2-(4'-Carboxyphenylazo)estriol
The XLogP value of 3.8 indicates that 2-(4'-Carboxyphenylazo)estriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4'-Carboxyphenylazo)estriol. Following Lipinski's Rule of Five, 2-(4'-Carboxyphenylazo)estriol has 4 hydrogen bond donor(s) and 7 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 2-(4'-Carboxyphenylazo)estriol?
The CAS number of 2-(4'-Carboxyphenylazo)estriol is 57266-76-9.
What is the molecular formula of 2-(4'-Carboxyphenylazo)estriol?
The molecular formula of 2-(4'-Carboxyphenylazo)estriol is C25H28N2O5.
What is the molecular weight of 2-(4'-Carboxyphenylazo)estriol?
The molecular weight of 2-(4'-Carboxyphenylazo)estriol is 436.20 g/mol.
Where can I buy 2-(4'-Carboxyphenylazo)estriol?
You can request a quote for 2-(4'-Carboxyphenylazo)estriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4'-Carboxyphenylazo)estriol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4'-Carboxyphenylazo)estriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.