benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
TL;DR: benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate (CAS 69164-73-4) is a chemical compound with molecular formula C21H25ClN2O6S and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate, benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylam, BENZYL 4-(HYDROXYSULFAMOYL)-2-PHENYLMETHOXYCARBONYLAMINO-BUTANOATE, Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-[(2-chloroethyl)sulfamoyl]butanoate, Butanoicacid, 4-[[(2-chloroethyl)amino]sulfonyl]-2-[[(phenylmethoxy)carbonyl]amino]-,phenylmethyl ester
| Molecular Formula | C21H25ClN2O6S |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 468.11218 |
| Heavy Atoms | 31 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 69164-73-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)NCCCl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ZKOSIKMVBXHZBO-UHFFFAOYSA-N |
Product Overview
benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate (CAS 69164-73-4), with molecular formula C21H25ClN2O6S and molecular weight 468.11 g/mol. IUPAC: benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
Property Insights of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate 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 benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate?
The CAS number of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate is 69164-73-4.
What is the molecular formula of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate is C21H25ClN2O6S.
What is the molecular weight of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate is 468.11 g/mol.
Where can I buy benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.