BAS 00836314
TL;DR: BAS 00836314 (CAS 304669-24-7) is a chemical compound with molecular formula C18H20N4O7S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
Also Known As: BAS 00836314, F1443-5118, 3-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenylcarbamoyl]-acrylic acid ethyl ester, ETHYL (2E)-3-({4-[(2,6-DIMETHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}CARBAMOYL)PROP-2-ENOATE, (E)-ethyl 4-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate
| Molecular Formula | C18H20N4O7S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 1.3524 |
| Topological Polar Surface Area | 145.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.10526 |
| Heavy Atoms | 30 |
| Complexity | 1014.7505 |
Chemical Identifiers
| CAS Number | 304669-24-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC |
Product Overview
BAS 00836314 (CAS 304669-24-7), with molecular formula C18H20N4O7S and molecular weight 436.11 g/mol. IUPAC: ethyl (E)-4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate.
Chemical Property Profile of BAS 00836314
Property Insights of BAS 00836314
The XLogP value of 1.3524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836314. The TPSA of 145.81 Ų indicates high polarity, suggesting BAS 00836314 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00836314 has 2 hydrogen bond donor(s) and 9 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 00836314?
The CAS number of BAS 00836314 is 304669-24-7.
What is the molecular formula of BAS 00836314?
The molecular formula of BAS 00836314 is C18H20N4O7S.
What is the molecular weight of BAS 00836314?
The molecular weight of BAS 00836314 is 436.11 g/mol.
Where can I buy BAS 00836314?
You can request a quote for BAS 00836314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836314?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.