AB00079241-01
TL;DR: AB00079241-01 (CAS 376618-84-7) is a chemical compound with molecular formula C19H19BrN2O4 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00079241-01, 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C19H19BrN2O4 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 3.52708 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.05283 |
| Heavy Atoms | 26 |
| Complexity | 882.2607 |
Chemical Identifiers
| CAS Number | 376618-84-7 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)Br)C(=O)C1 |
Product Overview
AB00079241-01 (CAS 376618-84-7), with molecular formula C19H19BrN2O4 and molecular weight 418.05 g/mol. IUPAC: 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00079241-01
Property Insights of AB00079241-01
The XLogP value of 3.52708 indicates that AB00079241-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00079241-01. Following Lipinski's Rule of Five, AB00079241-01 has 1 hydrogen bond donor(s) and 6 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 AB00079241-01?
The CAS number of AB00079241-01 is 376618-84-7.
What is the molecular formula of AB00079241-01?
The molecular formula of AB00079241-01 is C19H19BrN2O4.
What is the molecular weight of AB00079241-01?
The molecular weight of AB00079241-01 is 418.05 g/mol.
Where can I buy AB00079241-01?
You can request a quote for AB00079241-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00079241-01?
Yes, KEHONG BIO provides custom synthesis services for AB00079241-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.