BAS 00865295
TL;DR: BAS 00865295 (CAS 332045-56-4) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-heptyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00865295, 2-amino-4-heptyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-heptyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, AE-848/11829458, 2-amino-4-heptyl-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile
| Molecular Formula | C19H28N2O2 |
|---|---|
| Molecular Weight | 316.22 g/mol |
| LogP | 4.33038 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.2151 |
| Heavy Atoms | 23 |
| Complexity | 578.66724 |
Chemical Identifiers
| CAS Number | 332045-56-4 |
|---|---|
| SMILES | CCCCCCCC1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N |
Product Overview
BAS 00865295 (CAS 332045-56-4), with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol. IUPAC: 2-amino-4-heptyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00865295
Property Insights of BAS 00865295
The XLogP value of 4.33038 indicates that BAS 00865295 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 00865295. Following Lipinski's Rule of Five, BAS 00865295 has 1 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 00865295?
The CAS number of BAS 00865295 is 332045-56-4.
What is the molecular formula of BAS 00865295?
The molecular formula of BAS 00865295 is C19H28N2O2.
What is the molecular weight of BAS 00865295?
The molecular weight of BAS 00865295 is 316.22 g/mol.
Where can I buy BAS 00865295?
You can request a quote for BAS 00865295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865295?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.