Butixocort 21-propionate
TL;DR: Butixocort 21-propionate (CAS 98451-27-5) is a chemical compound with molecular formula C28H40O6S and molecular weight 504.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
Also Known As: Butixocort 21-propionate, butixocort propionate, Butixocort (propionate), JO 1222, JO1222;JO-1222;JO 1222
| Molecular Formula | C28H40O6S |
|---|---|
| Molecular Weight | 504.25 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.25455 |
| Heavy Atoms | 35 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 98451-27-5 |
|---|---|
| SMILES | CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CSC(=O)CC |
| InChIKey | CDKNUFNIFGPFSF-AYVLZSQQSA-N |
Product Overview
Butixocort 21-propionate (CAS 98451-27-5), with molecular formula C28H40O6S and molecular weight 504.25 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate.
Chemical Property Profile of Butixocort 21-propionate
Property Insights of Butixocort 21-propionate
The XLogP value of 4.8 indicates that Butixocort 21-propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butixocort 21-propionate. Following Lipinski's Rule of Five, Butixocort 21-propionate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butixocort 21-propionate?
The CAS number of Butixocort 21-propionate is 98451-27-5.
What is the molecular formula of Butixocort 21-propionate?
The molecular formula of Butixocort 21-propionate is C28H40O6S.
What is the molecular weight of Butixocort 21-propionate?
The molecular weight of Butixocort 21-propionate is 504.25 g/mol.
Where can I buy Butixocort 21-propionate?
You can request a quote for Butixocort 21-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butixocort 21-propionate?
Yes, KEHONG BIO provides custom synthesis services for Butixocort 21-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.