BAS 08812397
TL;DR: BAS 08812397 (CAS 796876-59-0) is a chemical compound with molecular formula C19H11F2N3O2S and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile
Also Known As: BAS 08812397, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((3,4-difluorophenyl)amino)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile
| Molecular Formula | C19H11F2N3O2S |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 4.79358 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.05402 |
| Heavy Atoms | 27 |
| Complexity | 1088.7991 |
Chemical Identifiers
| CAS Number | 796876-59-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/NC4=CC(=C(C=C4)F)F)/C#N |
Product Overview
BAS 08812397 (CAS 796876-59-0), with molecular formula C19H11F2N3O2S and molecular weight 383.05 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-difluoroanilino)prop-2-enenitrile.
Chemical Property Profile of BAS 08812397
Property Insights of BAS 08812397
The XLogP value of 4.79358 indicates that BAS 08812397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08812397. Following Lipinski's Rule of Five, BAS 08812397 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 08812397?
The CAS number of BAS 08812397 is 796876-59-0.
What is the molecular formula of BAS 08812397?
The molecular formula of BAS 08812397 is C19H11F2N3O2S.
What is the molecular weight of BAS 08812397?
The molecular weight of BAS 08812397 is 383.05 g/mol.
Where can I buy BAS 08812397?
You can request a quote for BAS 08812397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08812397?
Yes, KEHONG BIO provides custom synthesis services for BAS 08812397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.