BAS 00775961
TL;DR: BAS 00775961 (CAS 333344-10-8) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N,N-diethyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Also Known As: BAS 00775961, 2-cyano-N,N-diethyl-3-(5-{3-nitrophenyl}-2-furyl)acrylamide, 2-cyano-N,N-diethyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 3.63018 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 857.2013 |
Chemical Identifiers
| CAS Number | 333344-10-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C#N |
Product Overview
BAS 00775961 (CAS 333344-10-8), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 2-cyano-N,N-diethyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.
Chemical Property Profile of BAS 00775961
Property Insights of BAS 00775961
The XLogP value of 3.63018 indicates that BAS 00775961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00775961. Following Lipinski's Rule of Five, BAS 00775961 has 0 hydrogen bond donor(s) and 5 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 00775961?
The CAS number of BAS 00775961 is 333344-10-8.
What is the molecular formula of BAS 00775961?
The molecular formula of BAS 00775961 is C18H17N3O4.
What is the molecular weight of BAS 00775961?
The molecular weight of BAS 00775961 is 339.12 g/mol.
Where can I buy BAS 00775961?
You can request a quote for BAS 00775961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00775961?
Yes, KEHONG BIO provides custom synthesis services for BAS 00775961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.