BAS 01157350
TL;DR: BAS 01157350 (CAS 313378-98-2) is a chemical compound with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-(1,3-benzodioxol-5-yl)-N'-methylcarbamimidothioate
Also Known As: BAS 01157350, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N'-(1,3-benzodioxol-5-yl)-N-methylimidothiocarbamate, [1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-(1,3-benzodioxol-5-yl)-N'-methylcarbamimidothioate, 1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-1,3-benzodioxol-5-yl-N-methylcarbamimidothioate
| Molecular Formula | C19H16FN3O4S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.0174 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.08456 |
| Heavy Atoms | 28 |
| Complexity | 964.1511 |
Chemical Identifiers
| CAS Number | 313378-98-2 |
|---|---|
| SMILES | CN=C(NC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
BAS 01157350 (CAS 313378-98-2), with molecular formula C19H16FN3O4S and molecular weight 401.08 g/mol. IUPAC: [1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-(1,3-benzodioxol-5-yl)-N'-methylcarbamimidothioate.
Chemical Property Profile of BAS 01157350
Property Insights of BAS 01157350
The XLogP value of 3.0174 indicates that BAS 01157350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157350. Following Lipinski's Rule of Five, BAS 01157350 has 1 hydrogen bond donor(s) and 6 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 01157350?
The CAS number of BAS 01157350 is 313378-98-2.
What is the molecular formula of BAS 01157350?
The molecular formula of BAS 01157350 is C19H16FN3O4S.
What is the molecular weight of BAS 01157350?
The molecular weight of BAS 01157350 is 401.08 g/mol.
Where can I buy BAS 01157350?
You can request a quote for BAS 01157350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157350?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.