TimTec1_006814
TL;DR: TimTec1_006814 (CAS 352435-31-5) is a chemical compound with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
Also Known As: TimTec1_006814, BAS 00911134, 2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy)-N-(o-tolyl)acetamide, 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-o-tolyl-acetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
| Molecular Formula | C28H29N3O5 |
|---|---|
| Molecular Weight | 487.21 g/mol |
| LogP | 4.472 |
| Topological Polar Surface Area | 123.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.21072 |
| Heavy Atoms | 36 |
| Complexity | 1332.9358 |
Chemical Identifiers
| CAS Number | 352435-31-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC |
Product Overview
TimTec1_006814 (CAS 352435-31-5), with molecular formula C28H29N3O5 and molecular weight 487.21 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of TimTec1_006814
Property Insights of TimTec1_006814
The XLogP value of 4.472 indicates that TimTec1_006814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.67 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006814. Following Lipinski's Rule of Five, TimTec1_006814 has 2 hydrogen bond donor(s) and 7 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 TimTec1_006814?
The CAS number of TimTec1_006814 is 352435-31-5.
What is the molecular formula of TimTec1_006814?
The molecular formula of TimTec1_006814 is C28H29N3O5.
What is the molecular weight of TimTec1_006814?
The molecular weight of TimTec1_006814 is 487.21 g/mol.
Where can I buy TimTec1_006814?
You can request a quote for TimTec1_006814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006814?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.