TimTec1_006947
TL;DR: TimTec1_006947 (CAS 204775-57-5) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carbonitrile
Also Known As: TimTec1_006947, BAS 00288757, AB00098592-01, 1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carbonitrile, 1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carbonitrile
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 204775-57-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(S3)C#N)N)N4CCOCC4)C |
| InChIKey | KXUDLFHXVAVPJL-UHFFFAOYSA-N |
Product Overview
TimTec1_006947 (CAS 204775-57-5), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carbonitrile.
Chemical Property Profile of TimTec1_006947
Property Insights of TimTec1_006947
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006947. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006947. Following Lipinski's Rule of Five, TimTec1_006947 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_006947?
The CAS number of TimTec1_006947 is 204775-57-5.
What is the molecular formula of TimTec1_006947?
The molecular formula of TimTec1_006947 is C17H20N4O2S.
What is the molecular weight of TimTec1_006947?
The molecular weight of TimTec1_006947 is 344.13 g/mol.
Where can I buy TimTec1_006947?
You can request a quote for TimTec1_006947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006947?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.