BAS 00512978
TL;DR: BAS 00512978 (CAS 329207-98-9) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00512978, 2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(5-butyl(2-thienyl))-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3- carbonitrile, 2-amino-4-(5-butyl(2-thienyl))-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.54158 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 807.90765 |
Chemical Identifiers
| CAS Number | 329207-98-9 |
|---|---|
| SMILES | CCCCC1=CC=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N |
Product Overview
BAS 00512978 (CAS 329207-98-9), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: 2-amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00512978
Property Insights of BAS 00512978
The XLogP value of 4.54158 indicates that BAS 00512978 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 00512978. Following Lipinski's Rule of Five, BAS 00512978 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 00512978?
The CAS number of BAS 00512978 is 329207-98-9.
What is the molecular formula of BAS 00512978?
The molecular formula of BAS 00512978 is C20H24N2O2S.
What is the molecular weight of BAS 00512978?
The molecular weight of BAS 00512978 is 356.16 g/mol.
Where can I buy BAS 00512978?
You can request a quote for BAS 00512978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00512978?
Yes, KEHONG BIO provides custom synthesis services for BAS 00512978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.