ChemDiv1_005281
TL;DR: ChemDiv1_005281 (CAS 328017-19-2) is a chemical compound with molecular formula C14H9BrN6O2S and molecular weight 403.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
Also Known As: ChemDiv1_005281, 3-bromo-2-(((5-nitro-1H-benzo[d]imidazol-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine, AF-399/15335493, F1001-0018, 2-[({3-BROMOIMIDAZO[1,2-A]PYRIMIDIN-2-YL}METHYL)SULFANYL]-5-NITRO-1H-1,3-BENZODIAZOLE
| Molecular Formula | C14H9BrN6O2S |
|---|---|
| Molecular Weight | 403.97 g/mol |
| LogP | 3.5686 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.96912 |
| Heavy Atoms | 24 |
| Complexity | 1075.6965 |
Chemical Identifiers
| CAS Number | 328017-19-2 |
|---|---|
| SMILES | C1=CN2C(=C(N=C2N=C1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])Br |
Product Overview
ChemDiv1_005281 (CAS 328017-19-2), with molecular formula C14H9BrN6O2S and molecular weight 403.97 g/mol. IUPAC: 3-bromo-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
Chemical Property Profile of ChemDiv1_005281
Property Insights of ChemDiv1_005281
The XLogP value of 3.5686 indicates that ChemDiv1_005281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005281. Following Lipinski's Rule of Five, ChemDiv1_005281 has 1 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_005281?
The CAS number of ChemDiv1_005281 is 328017-19-2.
What is the molecular formula of ChemDiv1_005281?
The molecular formula of ChemDiv1_005281 is C14H9BrN6O2S.
What is the molecular weight of ChemDiv1_005281?
The molecular weight of ChemDiv1_005281 is 403.97 g/mol.
Where can I buy ChemDiv1_005281?
You can request a quote for ChemDiv1_005281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005281?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.