ChemDiv1_007616
TL;DR: ChemDiv1_007616 (CAS 397875-40-0) is a chemical compound with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_007616, methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, METHYL 2-AMINO-4-(4-BROMOPHENYL)-7,7-DIMETHYL-5-OXO-4,6,7,8-TETRAHYDRO2H-CHROMENE-3-CARBOXYLATE, methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene- 3-carboxylate
| Molecular Formula | C19H20BrNO4 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 3.5494 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.05756 |
| Heavy Atoms | 25 |
| Complexity | 805.21796 |
Chemical Identifiers
| CAS Number | 397875-40-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)Br)C(=O)C1)C |
Product Overview
ChemDiv1_007616 (CAS 397875-40-0), with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol. IUPAC: methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_007616
Property Insights of ChemDiv1_007616
The XLogP value of 3.5494 indicates that ChemDiv1_007616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007616. Following Lipinski's Rule of Five, ChemDiv1_007616 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 ChemDiv1_007616?
The CAS number of ChemDiv1_007616 is 397875-40-0.
What is the molecular formula of ChemDiv1_007616?
The molecular formula of ChemDiv1_007616 is C19H20BrNO4.
What is the molecular weight of ChemDiv1_007616?
The molecular weight of ChemDiv1_007616 is 405.06 g/mol.
Where can I buy ChemDiv1_007616?
You can request a quote for ChemDiv1_007616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007616?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.