ChemDiv1_012352
TL;DR: ChemDiv1_012352 (CAS 355804-96-5) 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.
propan-2-yl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_012352, propan-2-yl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, PROPAN-2-YL 2-[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H21ClN4O5S |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.89732 |
| 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 | 981.5451 |
Chemical Identifiers
| CAS Number | 355804-96-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-])Cl |
Product Overview
ChemDiv1_012352 (CAS 355804-96-5), with molecular formula C18H21ClN4O5S and molecular weight 440.09 g/mol. IUPAC: propan-2-yl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_012352
Property Insights of ChemDiv1_012352
The XLogP value of 3.89732 indicates that ChemDiv1_012352 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_012352. Following Lipinski's Rule of Five, ChemDiv1_012352 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_012352?
The CAS number of ChemDiv1_012352 is 355804-96-5.
What is the molecular formula of ChemDiv1_012352?
The molecular formula of ChemDiv1_012352 is C18H21ClN4O5S.
What is the molecular weight of ChemDiv1_012352?
The molecular weight of ChemDiv1_012352 is 440.09 g/mol.
Where can I buy ChemDiv1_012352?
You can request a quote for ChemDiv1_012352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012352?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.