TimTec1_005405
TL;DR: TimTec1_005405 (CAS 169376-46-9) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
Also Known As: TimTec1_005405, BAS 00054027, Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate, A1701/0072418, Benzofurane-3-carboxylic acid, 5-hydroxy-4-dimethylamino-2-phenylthio-, ethyl ester
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 169376-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=CC=C3 |
| InChIKey | FWOMJMKPXGUDOG-UHFFFAOYSA-N |
Product Overview
TimTec1_005405 (CAS 169376-46-9), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of TimTec1_005405
Property Insights of TimTec1_005405
The XLogP value of 4.1 indicates that TimTec1_005405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005405. Following Lipinski's Rule of Five, TimTec1_005405 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_005405?
The CAS number of TimTec1_005405 is 169376-46-9.
What is the molecular formula of TimTec1_005405?
The molecular formula of TimTec1_005405 is C21H23NO4S.
What is the molecular weight of TimTec1_005405?
The molecular weight of TimTec1_005405 is 385.13 g/mol.
Where can I buy TimTec1_005405?
You can request a quote for TimTec1_005405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005405?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.