BS 7564
TL;DR: BS 7564 (CAS 7530-51-0) is a chemical compound with molecular formula C25H30BrNO2 and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate bromide
Also Known As: BS 7564, 10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxylic acid tropine ester methobromide, (1R,5S)-3-[(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylcarbonyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide, 8-Azoniabicyclo(3.2.1)octane, 3-(((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)carbonyl)oxy)-8,8-dimethyl-, bromide, endo-
| Molecular Formula | C25H30BrNO2 |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 1.2341 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.146 |
| Heavy Atoms | 29 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 7530-51-0 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=CC=CC=C4CCC5=CC=CC=C35)C.[Br-] |
| InChIKey | URLXOCWNHYGQAO-ILOBMFFHSA-M |
Product Overview
BS 7564 (CAS 7530-51-0), with molecular formula C25H30BrNO2 and molecular weight 455.15 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate bromide.
Chemical Property Profile of BS 7564
Property Insights of BS 7564
The XLogP value of 1.2341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BS 7564. With a topological polar surface area (TPSA) of 26.3 Ų, BS 7564 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BS 7564 has 0 hydrogen bond donor(s) and 3 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 BS 7564?
The CAS number of BS 7564 is 7530-51-0.
What is the molecular formula of BS 7564?
The molecular formula of BS 7564 is C25H30BrNO2.
What is the molecular weight of BS 7564?
The molecular weight of BS 7564 is 455.15 g/mol.
Where can I buy BS 7564?
You can request a quote for BS 7564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BS 7564?
Yes, KEHONG BIO provides custom synthesis services for BS 7564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.