C21H29FO6
TL;DR: C21H29FO6 (CAS 337-02-0) is a chemical compound with molecular formula C21H29FO6 and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 9-fluoro-11,16,17,21-tetrahydroxypregn-4-ene-3,20-dione, 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, 9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H29FO6 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.19482 |
| Heavy Atoms | 28 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 337-02-0 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CC(C4(C(=O)CO)O)O)C)O)F |
| InChIKey | SXQQMCLQCSKJNC-UHFFFAOYSA-N |
Product Overview
C21H29FO6 (CAS 337-02-0), with molecular formula C21H29FO6 and molecular weight 396.19 g/mol. IUPAC: 9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of C21H29FO6
Property Insights of C21H29FO6
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H29FO6. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H29FO6. Following Lipinski's Rule of Five, C21H29FO6 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 C21H29FO6?
The CAS number of C21H29FO6 is 337-02-0.
What is the molecular formula of C21H29FO6?
The molecular formula of C21H29FO6 is C21H29FO6.
What is the molecular weight of C21H29FO6?
The molecular weight of C21H29FO6 is 396.19 g/mol.
Where can I buy C21H29FO6?
You can request a quote for C21H29FO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H29FO6?
Yes, KEHONG BIO provides custom synthesis services for C21H29FO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.