ChemDiv1_003018
TL;DR: ChemDiv1_003018 (CAS 312587-06-7) is a chemical compound with molecular formula C17H13N5O4S2 and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_003018, N-(6-methoxybenzothiazol-2-yl)-2-(5-nitrobenzimidazol-2-ylthio)acetamide, N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide, N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide, N-(6-methoxybenzo[d]thiazol-2-yl)-2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)acetamide
| Molecular Formula | C17H13N5O4S2 |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 3.8202 |
| Topological Polar Surface Area | 123.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.0409 |
| Heavy Atoms | 28 |
| Complexity | 1202.9248 |
Chemical Identifiers
| CAS Number | 312587-06-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_003018 (CAS 312587-06-7), with molecular formula C17H13N5O4S2 and molecular weight 415.04 g/mol. IUPAC: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_003018
Property Insights of ChemDiv1_003018
The XLogP value of 3.8202 indicates that ChemDiv1_003018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003018. Following Lipinski's Rule of Five, ChemDiv1_003018 has 2 hydrogen bond donor(s) and 8 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_003018?
The CAS number of ChemDiv1_003018 is 312587-06-7.
What is the molecular formula of ChemDiv1_003018?
The molecular formula of ChemDiv1_003018 is C17H13N5O4S2.
What is the molecular weight of ChemDiv1_003018?
The molecular weight of ChemDiv1_003018 is 415.04 g/mol.
Where can I buy ChemDiv1_003018?
You can request a quote for ChemDiv1_003018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003018?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.