Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate
TL;DR: Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate (CAS 69164-72-3) is a chemical compound with molecular formula C19H22N2O7S and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(hydroxysulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: BENZYL 4-(HYDROXYSULFAMOYL)-2-PHENYLMETHOXYCARBONYLAMINO-BUTANOATE, benzyl 4-(hydroxysulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate, benzyl 2-(benzyloxycarbonylamino)-4-(hydroxysulfamoyl)butanoate, Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-(hydroxysulfamoyl)butanoate, Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-[(hydroxyamino)sulfonyl]butanoate
| Molecular Formula | C19H22N2O7S |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 422.11478 |
| Heavy Atoms | 29 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 69164-72-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)NO)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | OHCLEFYOCVTUTB-UHFFFAOYSA-N |
Product Overview
Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate (CAS 69164-72-3), with molecular formula C19H22N2O7S and molecular weight 422.11 g/mol. IUPAC: benzyl 4-(hydroxysulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate
Property Insights of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate. Following Lipinski's Rule of Five, Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate has 3 hydrogen bond donor(s) and 8 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-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate?
The CAS number of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate is 69164-72-3.
What is the molecular formula of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate?
The molecular formula of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate is C19H22N2O7S.
What is the molecular weight of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate?
The molecular weight of Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate is 422.11 g/mol.
Where can I buy Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate?
You can request a quote for Benzyl 4-(hydroxysulfamoyl)-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-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.