Estradiol anthranilate
TL;DR: Estradiol anthranilate (CAS 111111-97-8) is a chemical compound with molecular formula C25H29NO3 and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-aminobenzoate
Also Known As: Estradiol anthranilate, beta-Estradiol 3-anthranilate, beta-Estradiol-3-anthranilate, ESTRADIOL 3-ANTHRANILATE, .BETA.-ESTRADIOL 3-ANTHRANILATE
| Molecular Formula | C25H29NO3 |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.21475 |
| Heavy Atoms | 29 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 111111-97-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5N |
| InChIKey | KZDLYRDWDPOBMR-CWWQDXLCSA-N |
Product Overview
Estradiol anthranilate (CAS 111111-97-8), with molecular formula C25H29NO3 and molecular weight 391.21 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-aminobenzoate.
Chemical Property Profile of Estradiol anthranilate
Property Insights of Estradiol anthranilate
The XLogP value of 4.3 indicates that Estradiol anthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol anthranilate. Following Lipinski's Rule of Five, Estradiol anthranilate has 2 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 Estradiol anthranilate?
The CAS number of Estradiol anthranilate is 111111-97-8.
What is the molecular formula of Estradiol anthranilate?
The molecular formula of Estradiol anthranilate is C25H29NO3.
What is the molecular weight of Estradiol anthranilate?
The molecular weight of Estradiol anthranilate is 391.21 g/mol.
Where can I buy Estradiol anthranilate?
You can request a quote for Estradiol anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.