RefChem:77068
TL;DR: RefChem:77068 (CAS 68015-58-7) is a chemical compound with molecular formula C23H31ClN4O5S and molecular weight 510.17 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]sulfonylamino]propyl-(2-hydroxyethyl)-dimethylazanium formate
Also Known As: 1-Propanaminium, 3-[[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]amino]-N-(2-hydroxyethyl)-N,N-dimethyl-, formate (salt), 1-Propanaminium, 3-(((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-, formate (1:1), 1-Propanaminium, 3-(((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-, formate (salt), 3-(((4-(3-(4-Chlorophenyl)-.DELTA.2-pyrazolin-1-yl)phenyl)sulfonyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-1-propanaminium, formate salt, 3-(4-(3-(4-Chlorophenyl)-2-pyrazolin-1-yl)phenylsulfonyl)amino-N-(2-hydroxyethyl)-N,N-dimethyl-1-propanaminium formate
| Molecular Formula | C23H31ClN4O5S |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | 1.06 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.17038 |
| Heavy Atoms | 34 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 68015-58-7 |
|---|---|
| SMILES | C[N+](C)(CCCNS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)CCO.C(=O)[O-] |
| InChIKey | YSXLLVMCWCZUTR-UHFFFAOYSA-M |
Product Overview
RefChem:77068 (CAS 68015-58-7), with molecular formula C23H31ClN4O5S and molecular weight 510.17 g/mol. IUPAC: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-(2-hydroxyethyl)-dimethylazanium formate.
Chemical Property Profile of RefChem:77068
Property Insights of RefChem:77068
The XLogP value of 1.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77068. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77068. Following Lipinski's Rule of Five, RefChem:77068 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:77068?
The CAS number of RefChem:77068 is 68015-58-7.
What is the molecular formula of RefChem:77068?
The molecular formula of RefChem:77068 is C23H31ClN4O5S.
What is the molecular weight of RefChem:77068?
The molecular weight of RefChem:77068 is 510.17 g/mol.
Where can I buy RefChem:77068?
You can request a quote for RefChem:77068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77068?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.