TimTec1_005804
TL;DR: TimTec1_005804 (CAS 1005142-08-4) is a chemical compound with molecular formula C21H15NO5S2 and molecular weight 425.03915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-benzyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid
Also Known As: TimTec1_005804, 3-benzyl-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid, 3-benzyl-2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid, 6,10-dioxo-9-benzyl-7H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chromane -7-carboxylic acid
Technical Specifications
| Molecular Formula | C21H15NO5S2 |
| Molecular Weight | 425.03915 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.03915 Da |
| Heavy Atoms | 29 |
| Complexity | 762.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=C(C4C(C(S3)C(=O)O)C(=O)OC5=CC=CC=C45)SC2=O |
| InChIKey | BCVYKZKWAFPITF-UHFFFAOYSA-N |
Chemical Property Profile of TimTec1_005804
Property Insights of TimTec1_005804
The XLogP value of 3.3 indicates that TimTec1_005804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005804. Following Lipinski's Rule of Five, TimTec1_005804 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
What is the CAS number of TimTec1_005804?
The CAS number of TimTec1_005804 is 1005142-08-4.
What is the molecular formula of TimTec1_005804?
The molecular formula of TimTec1_005804 is C21H15NO5S2.
What is the molecular weight of TimTec1_005804?
The molecular weight of TimTec1_005804 is 425.03915 g/mol.
Where can I buy TimTec1_005804?
You can request a quote for TimTec1_005804 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TimTec1_005804?
Yes, CoreyChem provides custom synthesis services for TimTec1_005804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.