Tec-IN-14
TL;DR: Tec-IN-14 (CAS 852838-07-4) is a chemical compound with molecular formula C18H16BrN3O4 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Tec-IN-14, (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-ylmethyl ester, {7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C18H16BrN3O4 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 2.96154 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.0324 |
| Heavy Atoms | 26 |
| Complexity | 1097.7446 |
Chemical Identifiers
| CAS Number | 852838-07-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br |
Product Overview
Tec-IN-14 (CAS 852838-07-4), with molecular formula C18H16BrN3O4 and molecular weight 417.03 g/mol. IUPAC: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Tec-IN-14
Property Insights of Tec-IN-14
The XLogP value of 2.96154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tec-IN-14. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Tec-IN-14. Following Lipinski's Rule of Five, Tec-IN-14 has 1 hydrogen bond donor(s) and 5 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 Tec-IN-14?
The CAS number of Tec-IN-14 is 852838-07-4.
What is the molecular formula of Tec-IN-14?
The molecular formula of Tec-IN-14 is C18H16BrN3O4.
What is the molecular weight of Tec-IN-14?
The molecular weight of Tec-IN-14 is 417.03 g/mol.
Where can I buy Tec-IN-14?
You can request a quote for Tec-IN-14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tec-IN-14?
Yes, KEHONG BIO provides custom synthesis services for Tec-IN-14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.