TimTec1_001112
TL;DR: TimTec1_001112 (CAS 329057-46-7) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: TimTec1_001112, BAS 07417535, methyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, BRD-A45901821-001-01-8, Methyl 2-amino-4-(4-(methoxycarbonyl)phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C21H23NO6 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 2.5735 |
| Topological Polar Surface Area | 104.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.15253 |
| Heavy Atoms | 28 |
| Complexity | 907.3284 |
Chemical Identifiers
| CAS Number | 329057-46-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C |
Product Overview
TimTec1_001112 (CAS 329057-46-7), with molecular formula C21H23NO6 and molecular weight 385.15 g/mol. IUPAC: methyl 2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of TimTec1_001112
Property Insights of TimTec1_001112
The XLogP value of 2.5735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001112. The TPSA of 104.92 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001112. Following Lipinski's Rule of Five, TimTec1_001112 has 1 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_001112?
The CAS number of TimTec1_001112 is 329057-46-7.
What is the molecular formula of TimTec1_001112?
The molecular formula of TimTec1_001112 is C21H23NO6.
What is the molecular weight of TimTec1_001112?
The molecular weight of TimTec1_001112 is 385.15 g/mol.
Where can I buy TimTec1_001112?
You can request a quote for TimTec1_001112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001112?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.