BAS 00835160
TL;DR: BAS 00835160 (CAS 330181-07-2) is a chemical compound with molecular formula C23H16N2O4S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00835160, (E)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, AE-848/37018160, 3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile, (E)-3-(2,5-dimethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C23H16N2O4S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 4.99788 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08307 |
| Heavy Atoms | 30 |
| Complexity | 1361.6337 |
Chemical Identifiers
| CAS Number | 330181-07-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
BAS 00835160 (CAS 330181-07-2), with molecular formula C23H16N2O4S and molecular weight 416.08 g/mol. IUPAC: (E)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00835160
Property Insights of BAS 00835160
The XLogP value of 4.99788 indicates that BAS 00835160 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00835160. Following Lipinski's Rule of Five, BAS 00835160 has 0 hydrogen bond donor(s) and 7 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 00835160?
The CAS number of BAS 00835160 is 330181-07-2.
What is the molecular formula of BAS 00835160?
The molecular formula of BAS 00835160 is C23H16N2O4S.
What is the molecular weight of BAS 00835160?
The molecular weight of BAS 00835160 is 416.08 g/mol.
Where can I buy BAS 00835160?
You can request a quote for BAS 00835160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00835160?
Yes, KEHONG BIO provides custom synthesis services for BAS 00835160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.