C17H14ClN5O3S
TL;DR: C17H14ClN5O3S (CAS 315222-07-2) is a chemical compound with molecular formula C17H14ClN5O3S and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
Also Known As: SDCCGSBI-0660517.P001, BAS 01809629, N'-(2-CL-5-NITROBENZYLIDENE)-2-((1-ME-1H-BENZIMIDAZOL-2-YL)THIO)ACETOHYDRAZIDE, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetohydrazide, N'-[(E)-(2-CHLORO-5-NITROPHENYL)METHYLIDENE]-2-[(1-METHYL-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]ACETOHYDRAZIDE
| Molecular Formula | C17H14ClN5O3S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 3.3773 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0506 |
| Heavy Atoms | 27 |
| Complexity | 1050.225 |
Chemical Identifiers
| CAS Number | 315222-07-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
C17H14ClN5O3S (CAS 315222-07-2), with molecular formula C17H14ClN5O3S and molecular weight 403.05 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
Chemical Property Profile of C17H14ClN5O3S
Property Insights of C17H14ClN5O3S
The XLogP value of 3.3773 indicates that C17H14ClN5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H14ClN5O3S. Following Lipinski's Rule of Five, C17H14ClN5O3S 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 C17H14ClN5O3S?
The CAS number of C17H14ClN5O3S is 315222-07-2.
What is the molecular formula of C17H14ClN5O3S?
The molecular formula of C17H14ClN5O3S is C17H14ClN5O3S.
What is the molecular weight of C17H14ClN5O3S?
The molecular weight of C17H14ClN5O3S is 403.05 g/mol.
Where can I buy C17H14ClN5O3S?
You can request a quote for C17H14ClN5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H14ClN5O3S?
Yes, KEHONG BIO provides custom synthesis services for C17H14ClN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.