BAS 02017657
TL;DR: BAS 02017657 (CAS 333442-79-8) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid
Also Known As: BAS 02017657, 3-[5-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid, 3-(5-{2-cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}furan-2-yl)-2-methylbenzoic acid
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 4.80732 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 1165.6161 |
Chemical Identifiers
| CAS Number | 333442-79-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(O2)C3=C(C(=CC=C3)C(=O)O)C)/C#N |
Product Overview
BAS 02017657 (CAS 333442-79-8), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: 3-[5-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid.
Chemical Property Profile of BAS 02017657
Property Insights of BAS 02017657
The XLogP value of 4.80732 indicates that BAS 02017657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02017657. Following Lipinski's Rule of Five, BAS 02017657 has 2 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 02017657?
The CAS number of BAS 02017657 is 333442-79-8.
What is the molecular formula of BAS 02017657?
The molecular formula of BAS 02017657 is C23H18N2O4.
What is the molecular weight of BAS 02017657?
The molecular weight of BAS 02017657 is 386.13 g/mol.
Where can I buy BAS 02017657?
You can request a quote for BAS 02017657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02017657?
Yes, KEHONG BIO provides custom synthesis services for BAS 02017657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.