RefChem:255626
TL;DR: RefChem:255626 (CAS 438194-63-9) is a chemical compound with molecular formula C27H28N2O4 and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 04996971, 2-Amino-5,6,7,8-tetrahydro-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4H-1-benzopyran-3-carbonitrile, 2-amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C27H28N2O4 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 5.01424 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.2049 |
| Heavy Atoms | 33 |
| Complexity | 1210.163 |
Chemical Identifiers
| CAS Number | 438194-63-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C |
Product Overview
RefChem:255626 (CAS 438194-63-9), with molecular formula C27H28N2O4 and molecular weight 444.20 g/mol. IUPAC: 2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of RefChem:255626
Property Insights of RefChem:255626
The XLogP value of 5.01424 indicates that RefChem:255626 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 RefChem:255626. Following Lipinski's Rule of Five, RefChem:255626 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 RefChem:255626?
The CAS number of RefChem:255626 is 438194-63-9.
What is the molecular formula of RefChem:255626?
The molecular formula of RefChem:255626 is C27H28N2O4.
What is the molecular weight of RefChem:255626?
The molecular weight of RefChem:255626 is 444.20 g/mol.
Where can I buy RefChem:255626?
You can request a quote for RefChem:255626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:255626?
Yes, KEHONG BIO provides custom synthesis services for RefChem:255626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.