AB00078760-01
TL;DR: AB00078760-01 (CAS 376613-50-2) is a chemical compound with molecular formula C17H15BrN2O3 and molecular weight 374.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00078760-01, 2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C17H15BrN2O3 |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | 3.27248 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.0266 |
| Heavy Atoms | 23 |
| Complexity | 789.5185 |
Chemical Identifiers
| CAS Number | 376613-50-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br |
Product Overview
AB00078760-01 (CAS 376613-50-2), with molecular formula C17H15BrN2O3 and molecular weight 374.03 g/mol. IUPAC: 2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00078760-01
Property Insights of AB00078760-01
The XLogP value of 3.27248 indicates that AB00078760-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00078760-01. Following Lipinski's Rule of Five, AB00078760-01 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 AB00078760-01?
The CAS number of AB00078760-01 is 376613-50-2.
What is the molecular formula of AB00078760-01?
The molecular formula of AB00078760-01 is C17H15BrN2O3.
What is the molecular weight of AB00078760-01?
The molecular weight of AB00078760-01 is 374.03 g/mol.
Where can I buy AB00078760-01?
You can request a quote for AB00078760-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078760-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078760-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.