C27H35BrN2O5
TL;DR: C27H35BrN2O5 (CAS 33510-44-0) is a chemical compound with molecular formula C27H35BrN2O5 and molecular weight 546.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z,5S,8R,9S,10S,13S,14S,17S)-2-bromo-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 2-Bromo-17-beta-hydroxy-5-alpha-androstan-3-one O-(p-nitrophenyl)oxime acetate (ester), 5-alpha-Androstan-3-one, 2-bromo-17-beta-hydroxy-, O-(p-nitrophenyl)oxime, acetate (ester)
| Molecular Formula | C27H35BrN2O5 |
|---|---|
| Molecular Weight | 546.17 g/mol |
| LogP | 6.6774 |
| Topological Polar Surface Area | 91.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.1729 |
| Heavy Atoms | 35 |
| Complexity | 1028.9028 |
Chemical Identifiers
| CAS Number | 33510-44-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(/C(=N\OC5=CC=C(C=C5)[N+](=O)[O-])/C4)Br)C)C |
Product Overview
C27H35BrN2O5 (CAS 33510-44-0), with molecular formula C27H35BrN2O5 and molecular weight 546.17 g/mol. IUPAC: [(3Z,5S,8R,9S,10S,13S,14S,17S)-2-bromo-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of C27H35BrN2O5
Property Insights of C27H35BrN2O5
The XLogP value of 6.6774 indicates that C27H35BrN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.03 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H35BrN2O5. Following Lipinski's Rule of Five, C27H35BrN2O5 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H35BrN2O5?
The CAS number of C27H35BrN2O5 is 33510-44-0.
What is the molecular formula of C27H35BrN2O5?
The molecular formula of C27H35BrN2O5 is C27H35BrN2O5.
What is the molecular weight of C27H35BrN2O5?
The molecular weight of C27H35BrN2O5 is 546.17 g/mol.
Where can I buy C27H35BrN2O5?
You can request a quote for C27H35BrN2O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H35BrN2O5?
Yes, KEHONG BIO provides custom synthesis services for C27H35BrN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.