BAS 00836317
TL;DR: BAS 00836317 (CAS 314283-15-3) is a chemical compound with molecular formula C16H18N4O5S2 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
Also Known As: BAS 00836317, AB00686068-01, F1443-5314, (E)-ethyl 4-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate, ETHYL (2E)-3-({4-[(5-ETHYL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL}CARBAMOYL)PROP-2-ENOATE
| Molecular Formula | C16H18N4O5S2 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 1.9591 |
| Topological Polar Surface Area | 127.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.07187 |
| Heavy Atoms | 27 |
| Complexity | 935.97516 |
Chemical Identifiers
| CAS Number | 314283-15-3 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)OCC |
Product Overview
BAS 00836317 (CAS 314283-15-3), with molecular formula C16H18N4O5S2 and molecular weight 410.07 g/mol. IUPAC: ethyl (E)-4-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoate.
Chemical Property Profile of BAS 00836317
Property Insights of BAS 00836317
The XLogP value of 1.9591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836317. The TPSA of 127.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836317. Following Lipinski's Rule of Five, BAS 00836317 has 2 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 BAS 00836317?
The CAS number of BAS 00836317 is 314283-15-3.
What is the molecular formula of BAS 00836317?
The molecular formula of BAS 00836317 is C16H18N4O5S2.
What is the molecular weight of BAS 00836317?
The molecular weight of BAS 00836317 is 410.07 g/mol.
Where can I buy BAS 00836317?
You can request a quote for BAS 00836317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836317?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.