ChemDiv1_003818
TL;DR: ChemDiv1_003818 (CAS 309927-08-0) is a chemical compound with molecular formula C25H23ClN2O3 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: ChemDiv1_003818, 2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A2132/0089536, 2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C25H23ClN2O3 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 5.36988 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1397 |
| Heavy Atoms | 31 |
| Complexity | 1157.3522 |
Chemical Identifiers
| CAS Number | 309927-08-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=CC=C4Cl)C(=O)C1)C |
Product Overview
ChemDiv1_003818 (CAS 309927-08-0), with molecular formula C25H23ClN2O3 and molecular weight 434.14 g/mol. IUPAC: 2-amino-4-[2-[(2-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003818
Property Insights of ChemDiv1_003818
The XLogP value of 5.36988 indicates that ChemDiv1_003818 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 ChemDiv1_003818. Following Lipinski's Rule of Five, ChemDiv1_003818 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003818?
The CAS number of ChemDiv1_003818 is 309927-08-0.
What is the molecular formula of ChemDiv1_003818?
The molecular formula of ChemDiv1_003818 is C25H23ClN2O3.
What is the molecular weight of ChemDiv1_003818?
The molecular weight of ChemDiv1_003818 is 434.14 g/mol.
Where can I buy ChemDiv1_003818?
You can request a quote for ChemDiv1_003818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003818?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.