AN-465/40743049
TL;DR: AN-465/40743049 (CAS 430441-91-1) is a chemical compound with molecular formula C22H17BrN4O2S and molecular weight 480.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide
Also Known As: AN-465/40743049, 5-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide, 3-(5-BROMOPYRIDINE-3-CARBONYL)-1-[4-(5,6-DIMETHYL-1,3-BENZOXAZOL-2-YL)PHENYL]THIOUREA, 5-bromo-N-({[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)nicotinamide, N-[(5-bromo-3-pyridinyl)carbonyl]-N'-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiourea
| Molecular Formula | C22H17BrN4O2S |
|---|---|
| Molecular Weight | 480.03 g/mol |
| LogP | 5.39594 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.02557 |
| Heavy Atoms | 30 |
| Complexity | 1229.1191 |
Chemical Identifiers
| CAS Number | 430441-91-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br |
Product Overview
AN-465/40743049 (CAS 430441-91-1), with molecular formula C22H17BrN4O2S and molecular weight 480.03 g/mol. IUPAC: 5-bromo-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of AN-465/40743049
Property Insights of AN-465/40743049
The XLogP value of 5.39594 indicates that AN-465/40743049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/40743049. Following Lipinski's Rule of Five, AN-465/40743049 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-465/40743049?
The CAS number of AN-465/40743049 is 430441-91-1.
What is the molecular formula of AN-465/40743049?
The molecular formula of AN-465/40743049 is C22H17BrN4O2S.
What is the molecular weight of AN-465/40743049?
The molecular weight of AN-465/40743049 is 480.03 g/mol.
Where can I buy AN-465/40743049?
You can request a quote for AN-465/40743049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/40743049?
Yes, KEHONG BIO provides custom synthesis services for AN-465/40743049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.