A3809/0161672
TL;DR: A3809/0161672 (CAS 1212478-90-4) is a chemical compound with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: A3809/0161672, (1S,5R)-N-(2-bromo-4-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide, N~11~-(2-BROMO-4-METHYLPHENYL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOTHIOAMIDE
| Molecular Formula | C19H20BrN3OS |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 3.73532 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.05106 |
| Heavy Atoms | 25 |
| Complexity | 894.4782 |
Chemical Identifiers
| CAS Number | 1212478-90-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=S)N2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)Br |
Product Overview
A3809/0161672 (CAS 1212478-90-4), with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol. IUPAC: (1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of A3809/0161672
Property Insights of A3809/0161672
The XLogP value of 3.73532 indicates that A3809/0161672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.27 Ų, A3809/0161672 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3809/0161672 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 A3809/0161672?
The CAS number of A3809/0161672 is 1212478-90-4.
What is the molecular formula of A3809/0161672?
The molecular formula of A3809/0161672 is C19H20BrN3OS.
What is the molecular weight of A3809/0161672?
The molecular weight of A3809/0161672 is 417.05 g/mol.
Where can I buy A3809/0161672?
You can request a quote for A3809/0161672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3809/0161672?
Yes, KEHONG BIO provides custom synthesis services for A3809/0161672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.