ChemDiv1_005413
TL;DR: ChemDiv1_005413 (CAS 328017-34-1) is a chemical compound with molecular formula C14H11N5O2S2 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
Also Known As: ChemDiv1_005413, AF-399/15335495, 2-{[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]sulfanyl}-5-nitro-1H-benzimidazole, 3-methyl-6-(((5-nitro-1H-benzo[d]imidazol-2-yl)thio)methyl)imidazo[2,1-b]thiazole, 3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
| Molecular Formula | C14H11N5O2S2 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.03543 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 328017-34-1 |
|---|---|
| SMILES | CC1=CSC2=NC(=CN12)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | BESCNUNMUCNHKS-UHFFFAOYSA-N |
Product Overview
ChemDiv1_005413 (CAS 328017-34-1), with molecular formula C14H11N5O2S2 and molecular weight 345.04 g/mol. IUPAC: 3-methyl-6-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
Chemical Property Profile of ChemDiv1_005413
Property Insights of ChemDiv1_005413
The XLogP value of 4.0 indicates that ChemDiv1_005413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting ChemDiv1_005413 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_005413 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_005413?
The CAS number of ChemDiv1_005413 is 328017-34-1.
What is the molecular formula of ChemDiv1_005413?
The molecular formula of ChemDiv1_005413 is C14H11N5O2S2.
What is the molecular weight of ChemDiv1_005413?
The molecular weight of ChemDiv1_005413 is 345.04 g/mol.
Where can I buy ChemDiv1_005413?
You can request a quote for ChemDiv1_005413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005413?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.