BAS 01157413
TL;DR: BAS 01157413 (CAS 312287-67-5) is a chemical compound with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-3-yl) N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioate
Also Known As: BAS 01157413, A1797/0076052, 2,5-dioxo-3-pyrrolidinyl N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylimidothiocarbamate, (2,5-dioxopyrrolidin-3-yl) N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioate, 2,5-Dioxopyrrolidin-3-yl N'-(benzo[d][1,3]dioxol-5-ylmethyl)-N-phenylcarbamimidothioate
| Molecular Formula | C19H17N3O4S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 2.5317 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.09396 |
| Heavy Atoms | 27 |
| Complexity | 901.0827 |
Chemical Identifiers
| CAS Number | 312287-67-5 |
|---|---|
| SMILES | C1C(C(=O)NC1=O)SC(=NCC2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4 |
Product Overview
BAS 01157413 (CAS 312287-67-5), with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol. IUPAC: (2,5-dioxopyrrolidin-3-yl) N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioate.
Chemical Property Profile of BAS 01157413
Property Insights of BAS 01157413
The XLogP value of 2.5317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01157413. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157413. Following Lipinski's Rule of Five, BAS 01157413 has 2 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 01157413?
The CAS number of BAS 01157413 is 312287-67-5.
What is the molecular formula of BAS 01157413?
The molecular formula of BAS 01157413 is C19H17N3O4S.
What is the molecular weight of BAS 01157413?
The molecular weight of BAS 01157413 is 383.09 g/mol.
Where can I buy BAS 01157413?
You can request a quote for BAS 01157413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157413?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.