BAS 02251179
TL;DR: BAS 02251179 (CAS 372975-93-4) is a chemical compound with molecular formula C14H13BrN2O3S and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: BAS 02251179, (2E)-3-(4-bromophenyl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide, (E)-3-(4-bromophenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide, (E)-3-(4-bromophenyl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide
| Molecular Formula | C14H13BrN2O3S |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 1.65938 |
| Topological Polar Surface Area | 87.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.98303 |
| Heavy Atoms | 21 |
| Complexity | 717.5812 |
Chemical Identifiers
| CAS Number | 372975-93-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CC=C(C=C2)Br)/C#N |
Product Overview
BAS 02251179 (CAS 372975-93-4), with molecular formula C14H13BrN2O3S and molecular weight 367.98 g/mol. IUPAC: (E)-3-(4-bromophenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of BAS 02251179
Property Insights of BAS 02251179
The XLogP value of 1.65938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02251179. The TPSA of 87.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02251179. Following Lipinski's Rule of Five, BAS 02251179 has 1 hydrogen bond donor(s) and 4 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 02251179?
The CAS number of BAS 02251179 is 372975-93-4.
What is the molecular formula of BAS 02251179?
The molecular formula of BAS 02251179 is C14H13BrN2O3S.
What is the molecular weight of BAS 02251179?
The molecular weight of BAS 02251179 is 367.98 g/mol.
Where can I buy BAS 02251179?
You can request a quote for BAS 02251179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02251179?
Yes, KEHONG BIO provides custom synthesis services for BAS 02251179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.