RefChem:330913
TL;DR: RefChem:330913 (CAS 124861-91-2) is a chemical compound with molecular formula C15H17N5O6S2 and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
Also Known As: Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, 2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazide, methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate, Methyl [4-(2-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butanoyl}hydrazine-1-sulfonyl)phenyl]carbamate, BRN 4217621, RefChem:330913
| Molecular Formula | C15H17N5O6S2 |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 1.0498 |
| Topological Polar Surface Area | 155.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.062 |
| Heavy Atoms | 28 |
| Complexity | 928.3409 |
Chemical Identifiers
| CAS Number | 124861-91-2 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2 |
Product Overview
RefChem:330913 (CAS 124861-91-2), with molecular formula C15H17N5O6S2 and molecular weight 427.06 g/mol. IUPAC: methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate.
Chemical Property Profile of RefChem:330913
Property Insights of RefChem:330913
The XLogP value of 1.0498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:330913. The TPSA of 155.59 Ų indicates high polarity, suggesting RefChem:330913 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330913 has 4 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 RefChem:330913?
The CAS number of RefChem:330913 is 124861-91-2.
What is the molecular formula of RefChem:330913?
The molecular formula of RefChem:330913 is C15H17N5O6S2.
What is the molecular weight of RefChem:330913?
The molecular weight of RefChem:330913 is 427.06 g/mol.
Where can I buy RefChem:330913?
You can request a quote for RefChem:330913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.