TimTec1_004432
TL;DR: TimTec1_004432 (CAS 309272-15-9) is a chemical compound with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-methylphenyl)-10-prop-2-enylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: TimTec1_004432, BAS 01258567, 6-Allylsulfanyl-5-p-tolyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one, A2074/0087196, 2-(Allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H18N2OS2 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.08606 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 309272-15-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC=C)SC4=C3CCC4 |
| InChIKey | RINRMWNNDGVGPD-UHFFFAOYSA-N |
Product Overview
TimTec1_004432 (CAS 309272-15-9), with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol. IUPAC: 11-(4-methylphenyl)-10-prop-2-enylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of TimTec1_004432
Property Insights of TimTec1_004432
The XLogP value of 5.1 indicates that TimTec1_004432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004432. Following Lipinski's Rule of Five, TimTec1_004432 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_004432?
The CAS number of TimTec1_004432 is 309272-15-9.
What is the molecular formula of TimTec1_004432?
The molecular formula of TimTec1_004432 is C19H18N2OS2.
What is the molecular weight of TimTec1_004432?
The molecular weight of TimTec1_004432 is 354.09 g/mol.
Where can I buy TimTec1_004432?
You can request a quote for TimTec1_004432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004432?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.