TimTec1_005008
TL;DR: TimTec1_005008 (CAS 303970-83-4) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: TimTec1_005008, BAS 00843967, AB00684231-01, 7-(2-hydroxy-3-(naphthalen-2-yloxy)propyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, F0373-1055
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 1.67899 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 1348.0476 |
Chemical Identifiers
| CAS Number | 303970-83-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC4=CC=CC=C4C=C3)O |
Product Overview
TimTec1_005008 (CAS 303970-83-4), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of TimTec1_005008
Property Insights of TimTec1_005008
The XLogP value of 1.67899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005008. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005008. Following Lipinski's Rule of Five, TimTec1_005008 has 3 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_005008?
The CAS number of TimTec1_005008 is 303970-83-4.
What is the molecular formula of TimTec1_005008?
The molecular formula of TimTec1_005008 is C19H18N4O4S.
What is the molecular weight of TimTec1_005008?
The molecular weight of TimTec1_005008 is 398.10 g/mol.
Where can I buy TimTec1_005008?
You can request a quote for TimTec1_005008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005008?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.