TimTec1_006975
TL;DR: TimTec1_006975 (CAS 91403-84-8) is a chemical compound with molecular formula C21H21NO5S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-benzofuran-2-carbonylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: TimTec1_006975, BAS 00609032, AB00094857-01, ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(1-benzofuran-2-carbonylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C21H21NO5S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.7746 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.11404 |
| Heavy Atoms | 28 |
| Complexity | 1029.1206 |
Chemical Identifiers
| CAS Number | 91403-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC4=CC=CC=C4O3 |
Product Overview
TimTec1_006975 (CAS 91403-84-8), with molecular formula C21H21NO5S and molecular weight 399.11 g/mol. IUPAC: ethyl 2-(1-benzofuran-2-carbonylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of TimTec1_006975
Property Insights of TimTec1_006975
The XLogP value of 4.7746 indicates that TimTec1_006975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006975. Following Lipinski's Rule of Five, TimTec1_006975 has 1 hydrogen bond donor(s) and 6 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_006975?
The CAS number of TimTec1_006975 is 91403-84-8.
What is the molecular formula of TimTec1_006975?
The molecular formula of TimTec1_006975 is C21H21NO5S.
What is the molecular weight of TimTec1_006975?
The molecular weight of TimTec1_006975 is 399.11 g/mol.
Where can I buy TimTec1_006975?
You can request a quote for TimTec1_006975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006975?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.