RefChem:321702
TL;DR: RefChem:321702 (CAS 90763-29-4) is a chemical compound with molecular formula C18H29ClN4O4S and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Also Known As: Benzamide, 4-chloro-5-(((dimethylamino)sulfonyl)methylamino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, 4-chloro-5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide, 4-Chloro-5-{[(dimethylsulfamoyl)methyl]amino}-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzene-1-carboximidic acid, BRN 5644116, RefChem:321702
| Molecular Formula | C18H29ClN4O4S |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.1598 |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 90763-29-4 |
|---|---|
| SMILES | CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NCS(=O)(=O)N(C)C |
| InChIKey | FIUVFYJMHJOABJ-UHFFFAOYSA-N |
Product Overview
RefChem:321702 (CAS 90763-29-4), with molecular formula C18H29ClN4O4S and molecular weight 432.16 g/mol. IUPAC: 4-chloro-5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide.
Chemical Property Profile of RefChem:321702
Property Insights of RefChem:321702
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321702. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321702. Following Lipinski's Rule of Five, RefChem:321702 has 2 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 RefChem:321702?
The CAS number of RefChem:321702 is 90763-29-4.
What is the molecular formula of RefChem:321702?
The molecular formula of RefChem:321702 is C18H29ClN4O4S.
What is the molecular weight of RefChem:321702?
The molecular weight of RefChem:321702 is 432.16 g/mol.
Where can I buy RefChem:321702?
You can request a quote for RefChem:321702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.