TimTec1_001078
TL;DR: TimTec1_001078 (CAS 329059-69-0) is a chemical compound with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-4-carboxylate
Also Known As: TimTec1_001078, BAS 00584476, ethyl 12-oxo-1,2,3,4,7,9,10,12-octahydro-8H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylate, AH-262/32338013, BRD-A45401072-001-01-5
| Molecular Formula | C17H20N2O3S |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 2.7773 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.11948 |
| Heavy Atoms | 23 |
| Complexity | 836.45654 |
Chemical Identifiers
| CAS Number | 329059-69-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN2C1=NC3=C(C2=O)C4=C(S3)CCCC4 |
Product Overview
TimTec1_001078 (CAS 329059-69-0), with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol. IUPAC: ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-4-carboxylate.
Chemical Property Profile of TimTec1_001078
Property Insights of TimTec1_001078
The XLogP value of 2.7773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001078. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001078. Following Lipinski's Rule of Five, TimTec1_001078 has 0 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 TimTec1_001078?
The CAS number of TimTec1_001078 is 329059-69-0.
What is the molecular formula of TimTec1_001078?
The molecular formula of TimTec1_001078 is C17H20N2O3S.
What is the molecular weight of TimTec1_001078?
The molecular weight of TimTec1_001078 is 332.12 g/mol.
Where can I buy TimTec1_001078?
You can request a quote for TimTec1_001078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001078?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.