TimTec1_000298
TL;DR: TimTec1_000298 (CAS 155473-91-9) is a chemical compound with molecular formula C15H19N3OS2 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-morpholin-4-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: TimTec1_000298, 3,3-dimethyl-8-(morpholin-4-yl)-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-morpholin-4-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 3,3-dimethyl-8-morpholin-4-yl-6-thioxo-7-hydro-1H,4H-thiano[5,4-c]pyridine-5-c arbonitrile, 3,3-dimethyl-8-morpholino-6-thioxo-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C15H19N3OS2 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.09695 |
| Heavy Atoms | 21 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 155473-91-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=S)NC(=C2CS1)N3CCOCC3)C#N)C |
| InChIKey | YNXHIKKBLQSDQN-UHFFFAOYSA-N |
Product Overview
TimTec1_000298 (CAS 155473-91-9), with molecular formula C15H19N3OS2 and molecular weight 321.10 g/mol. IUPAC: 3,3-dimethyl-8-morpholin-4-yl-6-sulfanylidene-4,7-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of TimTec1_000298
Property Insights of TimTec1_000298
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000298. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000298. Following Lipinski's Rule of Five, TimTec1_000298 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 TimTec1_000298?
The CAS number of TimTec1_000298 is 155473-91-9.
What is the molecular formula of TimTec1_000298?
The molecular formula of TimTec1_000298 is C15H19N3OS2.
What is the molecular weight of TimTec1_000298?
The molecular weight of TimTec1_000298 is 321.10 g/mol.
Where can I buy TimTec1_000298?
You can request a quote for TimTec1_000298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000298?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.