BAS 00673078
TL;DR: BAS 00673078 (CAS 329693-55-2) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00673078, AB00092108-01, 2-amino-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-(5-ethyl(2-thienyl))-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3- carbonitrile, 2-amino-4-(5-ethyl(2-thienyl))-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.76138 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 777.1874 |
Chemical Identifiers
| CAS Number | 329693-55-2 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N |
Product Overview
BAS 00673078 (CAS 329693-55-2), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 2-amino-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00673078
Property Insights of BAS 00673078
The XLogP value of 3.76138 indicates that BAS 00673078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00673078. Following Lipinski's Rule of Five, BAS 00673078 has 1 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 00673078?
The CAS number of BAS 00673078 is 329693-55-2.
What is the molecular formula of BAS 00673078?
The molecular formula of BAS 00673078 is C18H20N2O2S.
What is the molecular weight of BAS 00673078?
The molecular weight of BAS 00673078 is 328.12 g/mol.
Where can I buy BAS 00673078?
You can request a quote for BAS 00673078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00673078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00673078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.