TimTec1_001859
TL;DR: TimTec1_001859 (CAS 353769-67-2) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: TimTec1_001859, 6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid, BRD-A20305532-001-01-1, 6-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.2556 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 529.77216 |
Chemical Identifiers
| CAS Number | 353769-67-2 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O |
Product Overview
TimTec1_001859 (CAS 353769-67-2), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 6-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of TimTec1_001859
Property Insights of TimTec1_001859
The XLogP value of 2.2556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_001859. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001859. Following Lipinski's Rule of Five, TimTec1_001859 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_001859?
The CAS number of TimTec1_001859 is 353769-67-2.
What is the molecular formula of TimTec1_001859?
The molecular formula of TimTec1_001859 is C12H15N3O3S2.
What is the molecular weight of TimTec1_001859?
The molecular weight of TimTec1_001859 is 313.06 g/mol.
Where can I buy TimTec1_001859?
You can request a quote for TimTec1_001859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001859?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.