RefChem:1088257
TL;DR: RefChem:1088257 (CAS 188017-08-5) is a chemical compound with molecular formula C21H26ClN3O8S2 and molecular weight 547.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid, L-Proline, 1-((2S)-3-mercapto-2-methyl-1-oxopropyl)-, mixt. with 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)benzoic acid, RefChem:1088257
| Molecular Formula | C21H26ClN3O8S2 |
|---|---|
| Molecular Weight | 547.08 g/mol |
| LogP | 2.5186 |
| Topological Polar Surface Area | 180.24 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.08496 |
| Heavy Atoms | 35 |
| Complexity | 1171.4824 |
Chemical Identifiers
| CAS Number | 188017-08-5 |
|---|---|
| SMILES | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
Product Overview
RefChem:1088257 (CAS 188017-08-5), with molecular formula C21H26ClN3O8S2 and molecular weight 547.08 g/mol. IUPAC: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of RefChem:1088257
Property Insights of RefChem:1088257
The XLogP value of 2.5186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1088257. The TPSA of 180.24 Ų indicates high polarity, suggesting RefChem:1088257 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1088257 has 5 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:1088257?
The CAS number of RefChem:1088257 is 188017-08-5.
What is the molecular formula of RefChem:1088257?
The molecular formula of RefChem:1088257 is C21H26ClN3O8S2.
What is the molecular weight of RefChem:1088257?
The molecular weight of RefChem:1088257 is 547.08 g/mol.
Where can I buy RefChem:1088257?
You can request a quote for RefChem:1088257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.