TimTec1_004328
TL;DR: TimTec1_004328 (CAS 154379-69-8) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: TimTec1_004328, BAS 01122795, A1680/0071720, ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 154379-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)C)NC2=O)C#N)N)C |
| InChIKey | XAJFCIBNLQNBGC-UHFFFAOYSA-N |
Product Overview
TimTec1_004328 (CAS 154379-69-8), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of TimTec1_004328
Property Insights of TimTec1_004328
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004328. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004328. Following Lipinski's Rule of Five, TimTec1_004328 has 2 hydrogen bond donor(s) and 6 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_004328?
The CAS number of TimTec1_004328 is 154379-69-8.
What is the molecular formula of TimTec1_004328?
The molecular formula of TimTec1_004328 is C18H17N3O4.
What is the molecular weight of TimTec1_004328?
The molecular weight of TimTec1_004328 is 339.12 g/mol.
Where can I buy TimTec1_004328?
You can request a quote for TimTec1_004328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004328?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.