16a-Bromodehydro Epiandrosterone
TL;DR: 16a-Bromodehydro Epiandrosterone (CAS 1093-91-0) is a chemical compound with molecular formula C19H27BrO2 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Also Known As: 16a-Bromodehydro Epiandrosterone, 16alpha-Bromo-3beta-hydroxyandrost-5-en-17-one, (2R,3aS,3bR,7S,9aR,9bS,11aS)-2-bromo-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C19H27BrO2 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 4.2526 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 366.11945 |
| Heavy Atoms | 22 |
| Complexity | 541.5533 |
Chemical Identifiers
| CAS Number | 1093-91-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)Br)C)O |
Product Overview
16a-Bromodehydro Epiandrosterone (CAS 1093-91-0), with molecular formula C19H27BrO2 and molecular weight 366.12 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 16a-Bromodehydro Epiandrosterone
Property Insights of 16a-Bromodehydro Epiandrosterone
The XLogP value of 4.2526 indicates that 16a-Bromodehydro Epiandrosterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 16a-Bromodehydro Epiandrosterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16a-Bromodehydro Epiandrosterone has 1 hydrogen bond donor(s) and 2 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 16a-Bromodehydro Epiandrosterone?
The CAS number of 16a-Bromodehydro Epiandrosterone is 1093-91-0.
What is the molecular formula of 16a-Bromodehydro Epiandrosterone?
The molecular formula of 16a-Bromodehydro Epiandrosterone is C19H27BrO2.
What is the molecular weight of 16a-Bromodehydro Epiandrosterone?
The molecular weight of 16a-Bromodehydro Epiandrosterone is 366.12 g/mol.
Where can I buy 16a-Bromodehydro Epiandrosterone?
You can request a quote for 16a-Bromodehydro Epiandrosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16a-Bromodehydro Epiandrosterone?
Yes, KEHONG BIO provides custom synthesis services for 16a-Bromodehydro Epiandrosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.