布索芬新
TL;DR: 布索芬新 (CAS 171655-91-7) is a chemical compound with molecular formula C16H20Cl2N2O and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布索芬新
(Z)-1-[(2R,3S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxymethanimine
Also Known As: Brasofensine, (Z)-1-[(2R,3S)-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxymethanimine
| Molecular Formula | C16H20Cl2N2O |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 4.1919 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.09528 |
| Heavy Atoms | 21 |
| Complexity | 549.07855 |
Chemical Identifiers
| CAS Number | 171655-91-7 |
|---|---|
| SMILES | CN1C2CCC1[C@@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)/C=N\OC |
Product Overview
布索芬新 (CAS 171655-91-7), with molecular formula C16H20Cl2N2O and molecular weight 326.10 g/mol. IUPAC: (Z)-1-[(2R,3S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxymethanimine.
Chemical Property Profile of 布索芬新
Property Insights of 布索芬新
The XLogP value of 4.1919 indicates that 布索芬新 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, 布索芬新 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布索芬新 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 布索芬新?
The CAS number of 布索芬新 is 171655-91-7.
What is the molecular formula of 布索芬新?
The molecular formula of 布索芬新 is C16H20Cl2N2O.
What is the molecular weight of 布索芬新?
The molecular weight of 布索芬新 is 326.10 g/mol.
Where can I buy 布索芬新?
You can request a quote for 布索芬新 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布索芬新?
Yes, KEHONG BIO provides custom synthesis services for 布索芬新 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.