CWC6VV5V7N
TL;DR: CWC6VV5V7N (CAS 3331-71-3) is a chemical compound with molecular formula C29H36O8 and molecular weight 512.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylcyclohex-3-ene-1-carboxylic acid
Also Known As: Prednisolone tetrahydrophthalate, 2-Chloroisobutyronitrile, 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylcyclohex-3-ene-1-carboxylic acid, Pregna-1,4-diene-3,20-dione, 21-(((6-carboxy-3-cyclohexen-1-yl)carbonyl)oxy)-11,17-dihydroxy-, (11beta)-, 11beta,17-Dihydroxypregna-1,4-diene-3,20-dione 21-((6-carboxycyclohex-3-en-1-yl)formate)
| Molecular Formula | C29H36O8 |
|---|---|
| Molecular Weight | 512.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.241 |
| Heavy Atoms | 37 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 3331-71-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CC=CCC4C(=O)O)O)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | VNGWBSXDGQZSFL-JMNKBGBLSA-N |
Product Overview
CWC6VV5V7N (CAS 3331-71-3), with molecular formula C29H36O8 and molecular weight 512.24 g/mol. IUPAC: 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of CWC6VV5V7N
Property Insights of CWC6VV5V7N
The XLogP value of 3.1 indicates that CWC6VV5V7N is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CWC6VV5V7N. Following Lipinski's Rule of Five, CWC6VV5V7N has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CWC6VV5V7N?
The CAS number of CWC6VV5V7N is 3331-71-3.
What is the molecular formula of CWC6VV5V7N?
The molecular formula of CWC6VV5V7N is C29H36O8.
What is the molecular weight of CWC6VV5V7N?
The molecular weight of CWC6VV5V7N is 512.24 g/mol.
Where can I buy CWC6VV5V7N?
You can request a quote for CWC6VV5V7N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CWC6VV5V7N?
Yes, KEHONG BIO provides custom synthesis services for CWC6VV5V7N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.