5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate
TL;DR: 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate (CAS 138588-41-7) is a chemical compound with molecular formula C26H37ClO6 and molecular weight 480.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-5-chloro-6-hydroxy-10,13-dimethyl-16-methylidene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 5-CMTPD, KST-1A1241, (S)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate, 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate, (3
| Molecular Formula | C26H37ClO6 |
|---|---|
| Molecular Weight | 480.23 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.22787 |
| Heavy Atoms | 33 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 138588-41-7 |
|---|---|
| SMILES | CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)Cl)O)C)OC(=O)C |
| InChIKey | XKNHSIXSQAVVRC-ILYJYDSDSA-N |
Product Overview
5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate (CAS 138588-41-7), with molecular formula C26H37ClO6 and molecular weight 480.23 g/mol. IUPAC: [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-5-chloro-6-hydroxy-10,13-dimethyl-16-methylidene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate
Property Insights of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate
The XLogP value of 3.7 indicates that 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate. Following Lipinski's Rule of Five, 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate has 1 hydrogen bond donor(s) and 6 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 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate?
The CAS number of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate is 138588-41-7.
What is the molecular formula of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate?
The molecular formula of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate is C26H37ClO6.
What is the molecular weight of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate?
The molecular weight of 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate is 480.23 g/mol.
Where can I buy 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate?
You can request a quote for 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.