BAS 02052918
TL;DR: BAS 02052918 (CAS 397863-76-2) is a chemical compound with molecular formula C14H10ClN5O4S and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-chloro-1-benzothiophene-2-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide
Also Known As: BAS 02052918, 3-chloro-N'-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)-1-benzothiophene-2-carbohydrazide, N'-(3-chloro-1-benzothiophene-2-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide, N'-(3-chlorobenzo[b]thiophene-2-carbonyl)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide, N'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
| Molecular Formula | C14H10ClN5O4S |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 2.2712 |
| Topological Polar Surface Area | 119.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.0142 |
| Heavy Atoms | 25 |
| Complexity | 1011.9886 |
Chemical Identifiers
| CAS Number | 397863-76-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-] |
Product Overview
BAS 02052918 (CAS 397863-76-2), with molecular formula C14H10ClN5O4S and molecular weight 379.01 g/mol. IUPAC: N'-(3-chloro-1-benzothiophene-2-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide.
Chemical Property Profile of BAS 02052918
Property Insights of BAS 02052918
The XLogP value of 2.2712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02052918. The TPSA of 119.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02052918. Following Lipinski's Rule of Five, BAS 02052918 has 2 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 BAS 02052918?
The CAS number of BAS 02052918 is 397863-76-2.
What is the molecular formula of BAS 02052918?
The molecular formula of BAS 02052918 is C14H10ClN5O4S.
What is the molecular weight of BAS 02052918?
The molecular weight of BAS 02052918 is 379.01 g/mol.
Where can I buy BAS 02052918?
You can request a quote for BAS 02052918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052918?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.