ChemDiv1_005589
TL;DR: ChemDiv1_005589 (CAS 328016-91-7) is a chemical compound with molecular formula C16H11BrN4O3S and molecular weight 417.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole
Also Known As: ChemDiv1_005589, AF-399/15335480, F1001-0039, 2-[({3-bromo-5-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-nitro-1,3-benzoxazole, 2-(((3-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)methyl)thio)-5-nitrobenzo[d]oxazole
| Molecular Formula | C16H11BrN4O3S |
|---|---|
| Molecular Weight | 417.97 g/mol |
| LogP | 4.74692 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.9735 |
| Heavy Atoms | 25 |
| Complexity | 1121.4198 |
Chemical Identifiers
| CAS Number | 328016-91-7 |
|---|---|
| SMILES | CC1=CC=CC2=NC(=C(N12)Br)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_005589 (CAS 328016-91-7), with molecular formula C16H11BrN4O3S and molecular weight 417.97 g/mol. IUPAC: 2-[(3-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole.
Chemical Property Profile of ChemDiv1_005589
Property Insights of ChemDiv1_005589
The XLogP value of 4.74692 indicates that ChemDiv1_005589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005589. Following Lipinski's Rule of Five, ChemDiv1_005589 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_005589?
The CAS number of ChemDiv1_005589 is 328016-91-7.
What is the molecular formula of ChemDiv1_005589?
The molecular formula of ChemDiv1_005589 is C16H11BrN4O3S.
What is the molecular weight of ChemDiv1_005589?
The molecular weight of ChemDiv1_005589 is 417.97 g/mol.
Where can I buy ChemDiv1_005589?
You can request a quote for ChemDiv1_005589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005589?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.