TimTec1_000519
TL;DR: TimTec1_000519 (CAS 327168-35-4) is a chemical compound with molecular formula C14H19N5S and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-propan-2-yl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: TimTec1_000519, A1173/0054508, 2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide, 2-amino-9-(propan-2-yl)-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-AMINO-9-ISOPROPYL-4-SULFANYL-3,9-DIAZASPIRO[5.5]UNDECA-1,4-DIENE-1,5-DICARBONITRILE
| Molecular Formula | C14H19N5S |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.1361 |
| Heavy Atoms | 20 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 327168-35-4 |
|---|---|
| SMILES | CC(C)N1CCC2(CC1)C(=C(NC(=C2C#N)S)N)C#N |
| InChIKey | LOZJWTGJGPLZCJ-UHFFFAOYSA-N |
Product Overview
TimTec1_000519 (CAS 327168-35-4), with molecular formula C14H19N5S and molecular weight 289.14 g/mol. IUPAC: 2-amino-9-propan-2-yl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of TimTec1_000519
Property Insights of TimTec1_000519
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000519. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000519. Following Lipinski's Rule of Five, TimTec1_000519 has 3 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_000519?
The CAS number of TimTec1_000519 is 327168-35-4.
What is the molecular formula of TimTec1_000519?
The molecular formula of TimTec1_000519 is C14H19N5S.
What is the molecular weight of TimTec1_000519?
The molecular weight of TimTec1_000519 is 289.14 g/mol.
Where can I buy TimTec1_000519?
You can request a quote for TimTec1_000519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000519?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.