Abutasterone
TL;DR: Abutasterone (CAS 88669-02-7) is a chemical compound with molecular formula C27H44O8 and molecular weight 496.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Abutasterone, Amindocate, (+)-Abutasterone, (2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
| Molecular Formula | C27H44O8 |
|---|---|
| Molecular Weight | 496.30 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.30362 |
| Heavy Atoms | 35 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 88669-02-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](C[C@@H](C(C)(C)O)O)O)O)O |
| InChIKey | NXKBQUXBPMOHPK-NVJDGKEJSA-N |
Product Overview
Abutasterone (CAS 88669-02-7), with molecular formula C27H44O8 and molecular weight 496.30 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Abutasterone
Property Insights of Abutasterone
The XLogP value of -0.5 indicates that Abutasterone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Abutasterone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abutasterone has 7 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 Abutasterone?
The CAS number of Abutasterone is 88669-02-7.
What is the molecular formula of Abutasterone?
The molecular formula of Abutasterone is C27H44O8.
What is the molecular weight of Abutasterone?
The molecular weight of Abutasterone is 496.30 g/mol.
Where can I buy Abutasterone?
You can request a quote for Abutasterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abutasterone?
Yes, KEHONG BIO provides custom synthesis services for Abutasterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.