RefChem:141233
TL;DR: RefChem:141233 (CAS 68957-35-7) is a chemical compound with molecular formula C24H31ClN4O5S and molecular weight 522.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[3-(dimethylamino)propyl]propanamide;formic acid
Also Known As: Formic acid, compd. with 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N-[3-(dimethylamino)propyl]propanamide (1:1), Formic acid, compd. with 3-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N-(3-(dimethylamino)propyl)propanamide (1:1), Propanamide, 3-((4-(3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N,N-dimethyl-, hydroformate, formic acid- 3-({4-[3-(4-chlorophenyl)-4,5-dihydro-1h-pyrazol-1-yl]phenyl}sulfonyl)-n-[3-(dimethylamino)propyl]propanamide(1:1), 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[3-(dimethylamino)propyl]propanamide; formic acid
| Molecular Formula | C24H31ClN4O5S |
|---|---|
| Molecular Weight | 522.17 g/mol |
| LogP | 2.89 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.17035 |
| Heavy Atoms | 35 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 68957-35-7 |
|---|---|
| SMILES | CN(C)CCCNC(=O)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.C(=O)O |
| InChIKey | DOQBXOUTLQRLFL-UHFFFAOYSA-N |
Product Overview
RefChem:141233 (CAS 68957-35-7), with molecular formula C24H31ClN4O5S and molecular weight 522.17 g/mol. IUPAC: 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[3-(dimethylamino)propyl]propanamide;formic acid.
Chemical Property Profile of RefChem:141233
Property Insights of RefChem:141233
The XLogP value of 2.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:141233. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:141233. Following Lipinski's Rule of Five, RefChem:141233 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:141233?
The CAS number of RefChem:141233 is 68957-35-7.
What is the molecular formula of RefChem:141233?
The molecular formula of RefChem:141233 is C24H31ClN4O5S.
What is the molecular weight of RefChem:141233?
The molecular weight of RefChem:141233 is 522.17 g/mol.
Where can I buy RefChem:141233?
You can request a quote for RefChem:141233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:141233?
Yes, KEHONG BIO provides custom synthesis services for RefChem:141233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.