TimTec1_005374
TL;DR: TimTec1_005374 (CAS 300730-48-7) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: TimTec1_005374, BAS 00338115, 6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, AB00097687-01, AE-848/31941037
| Molecular Formula | C12H14N2O2S2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 2.5578 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.04968 |
| Heavy Atoms | 18 |
| Complexity | 672.5026 |
Chemical Identifiers
| CAS Number | 300730-48-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)SC)C |
Product Overview
TimTec1_005374 (CAS 300730-48-7), with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol. IUPAC: 12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of TimTec1_005374
Property Insights of TimTec1_005374
The XLogP value of 2.5578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005374. With a topological polar surface area (TPSA) of 54.98 Ų, TimTec1_005374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_005374 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_005374?
The CAS number of TimTec1_005374 is 300730-48-7.
What is the molecular formula of TimTec1_005374?
The molecular formula of TimTec1_005374 is C12H14N2O2S2.
What is the molecular weight of TimTec1_005374?
The molecular weight of TimTec1_005374 is 282.05 g/mol.
Where can I buy TimTec1_005374?
You can request a quote for TimTec1_005374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005374?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.