ChemDiv1_003602
TL;DR: ChemDiv1_003602 (CAS 309927-28-4) is a chemical compound with molecular formula C26H25BrN2O4 and molecular weight 508.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: ChemDiv1_003602, AM-807/13614196, 2-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-4H-6 ,7,8-trihydrochromene-3-carbonitrile
| Molecular Formula | C26H25BrN2O4 |
|---|---|
| Molecular Weight | 508.10 g/mol |
| LogP | 5.48758 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.09976 |
| Heavy Atoms | 33 |
| Complexity | 1223.038 |
Chemical Identifiers
| CAS Number | 309927-28-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)C1)C |
Product Overview
ChemDiv1_003602 (CAS 309927-28-4), with molecular formula C26H25BrN2O4 and molecular weight 508.10 g/mol. IUPAC: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003602
Property Insights of ChemDiv1_003602
The XLogP value of 5.48758 indicates that ChemDiv1_003602 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 ChemDiv1_003602. Following Lipinski's Rule of Five, ChemDiv1_003602 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003602?
The CAS number of ChemDiv1_003602 is 309927-28-4.
What is the molecular formula of ChemDiv1_003602?
The molecular formula of ChemDiv1_003602 is C26H25BrN2O4.
What is the molecular weight of ChemDiv1_003602?
The molecular weight of ChemDiv1_003602 is 508.10 g/mol.
Where can I buy ChemDiv1_003602?
You can request a quote for ChemDiv1_003602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003602?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.