ChemDiv1_012396
TL;DR: ChemDiv1_012396 (CAS 355805-00-4) is a chemical compound with molecular formula C18H21ClN4O5S and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_012396, BAS 00924116, ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H21ClN4O5S |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.75482 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.09213 |
| Heavy Atoms | 29 |
| Complexity | 983.5451 |
Chemical Identifiers
| CAS Number | 355805-00-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C |
Product Overview
ChemDiv1_012396 (CAS 355805-00-4), with molecular formula C18H21ClN4O5S and molecular weight 440.09 g/mol. IUPAC: ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_012396
Property Insights of ChemDiv1_012396
The XLogP value of 3.75482 indicates that ChemDiv1_012396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012396. Following Lipinski's Rule of Five, ChemDiv1_012396 has 1 hydrogen bond donor(s) and 7 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_012396?
The CAS number of ChemDiv1_012396 is 355805-00-4.
What is the molecular formula of ChemDiv1_012396?
The molecular formula of ChemDiv1_012396 is C18H21ClN4O5S.
What is the molecular weight of ChemDiv1_012396?
The molecular weight of ChemDiv1_012396 is 440.09 g/mol.
Where can I buy ChemDiv1_012396?
You can request a quote for ChemDiv1_012396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012396?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.