C31H37FO7
TL;DR: C31H37FO7 (CAS 16463-85-7) is a chemical compound with molecular formula C29H35FO6 and molecular weight 498.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Also Known As: 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenone, 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenone, 21-acetate, Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-, Pregn-4-ene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
| Molecular Formula | C29H35FO6 |
|---|---|
| Molecular Weight | 498.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.24176 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 16463-85-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C6=CC=CC=C6)C(=O)CO)C)O)F |
| InChIKey | QCYWBAOQPAOALZ-ZPHQKVKWSA-N |
Product Overview
C31H37FO7 (CAS 16463-85-7), with molecular formula C29H35FO6 and molecular weight 498.24 g/mol. IUPAC: (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one.
Chemical Property Profile of C31H37FO7
Property Insights of C31H37FO7
The XLogP value of 3.4 indicates that C31H37FO7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H37FO7. Following Lipinski's Rule of Five, C31H37FO7 has 2 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 C31H37FO7?
The CAS number of C31H37FO7 is 16463-85-7.
What is the molecular formula of C31H37FO7?
The molecular formula of C31H37FO7 is C29H35FO6.
What is the molecular weight of C31H37FO7?
The molecular weight of C31H37FO7 is 498.24 g/mol.
Where can I buy C31H37FO7?
You can request a quote for C31H37FO7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H37FO7?
Yes, KEHONG BIO provides custom synthesis services for C31H37FO7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.