17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid
TL;DR: 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid (CAS 124651-01-0) is a chemical compound with molecular formula C24H33NO3 and molecular weight 383.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
Also Known As: 17-Bcetca, 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid, (8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid, 17beta-(tert-Butylaminocarbonyl)estra-1,3,5(10)-triene-3-carboxylic acid, 17-[(tert-Butylimino)(hydroxy)methyl]estra-1(10),2,4-triene-3-carboxylic acid
| Molecular Formula | C24H33NO3 |
|---|---|
| Molecular Weight | 383.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.24603 |
| Heavy Atoms | 28 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 124651-01-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=C3C=CC(=C4)C(=O)O |
| InChIKey | XDFFJSAVOUJVAR-OCWLBIEKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid (CAS 124651-01-0), with molecular formula C24H33NO3 and molecular weight 383.25 g/mol. IUPAC: (8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid.
Chemical Property Profile of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid
Property Insights of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid
The XLogP value of 5.0 indicates that 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid. Following Lipinski's Rule of Five, 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid 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 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid?
The CAS number of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid is 124651-01-0.
What is the molecular formula of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid?
The molecular formula of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid is C24H33NO3.
What is the molecular weight of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid?
The molecular weight of 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid is 383.25 g/mol.
Where can I buy 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid?
You can request a quote for 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.