TimTec1_004222
TL;DR: TimTec1_004222 (CAS 300730-63-6) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-4-carboxylic acid
Also Known As: TimTec1_004222, BRD-K86747167-001-01-5, 8,8-DIMETHYL-5-MORPHOLINO-8,9-DIHYDRO-6H-PYRANO[4,3-D]THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, 8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylic acid
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 300730-63-6 |
|---|---|
| SMILES | CC1(CC2=C3C=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)O)C |
| InChIKey | ORMABBFANOLLBX-UHFFFAOYSA-N |
Product Overview
TimTec1_004222 (CAS 300730-63-6), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: 12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-4-carboxylic acid.
Chemical Property Profile of TimTec1_004222
Property Insights of TimTec1_004222
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004222. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004222. Following Lipinski's Rule of Five, TimTec1_004222 has 1 hydrogen bond donor(s) and 7 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_004222?
The CAS number of TimTec1_004222 is 300730-63-6.
What is the molecular formula of TimTec1_004222?
The molecular formula of TimTec1_004222 is C17H20N2O4S.
What is the molecular weight of TimTec1_004222?
The molecular weight of TimTec1_004222 is 348.11 g/mol.
Where can I buy TimTec1_004222?
You can request a quote for TimTec1_004222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004222?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.