TimTec1_001091
TL;DR: TimTec1_001091 (CAS 312949-34-1) is a chemical compound with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: TimTec1_001091, 2-amino-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, BAS 00832389, (2-amino(4,5,6,7,8-pentahydrocyclohepta[1,2-b]thiophen-3-yl))-N-(3-chloropheny l)carboxamide
| Molecular Formula | C16H17ClN2OS |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.075 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 312949-34-1 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)N |
| InChIKey | PLLWUOOQVHWNSR-UHFFFAOYSA-N |
Product Overview
TimTec1_001091 (CAS 312949-34-1), with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol. IUPAC: 2-amino-N-(3-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of TimTec1_001091
Property Insights of TimTec1_001091
The XLogP value of 5.0 indicates that TimTec1_001091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_001091. Following Lipinski's Rule of Five, TimTec1_001091 has 2 hydrogen bond donor(s) and 3 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_001091?
The CAS number of TimTec1_001091 is 312949-34-1.
What is the molecular formula of TimTec1_001091?
The molecular formula of TimTec1_001091 is C16H17ClN2OS.
What is the molecular weight of TimTec1_001091?
The molecular weight of TimTec1_001091 is 320.07 g/mol.
Where can I buy TimTec1_001091?
You can request a quote for TimTec1_001091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001091?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.