TimTec1_004103
TL;DR: TimTec1_004103 (CAS 900601-97-0) is a chemical compound with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: TimTec1_004103, 2-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohexane-1-carboxylic acid, 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid, 2-{[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]carbonyl}cyclohexanecarboxylic acid
| Molecular Formula | C22H22N2O3S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 5.10122 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1351 |
| Heavy Atoms | 28 |
| Complexity | 1025.9429 |
Chemical Identifiers
| CAS Number | 900601-97-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCCC4C(=O)O |
Product Overview
TimTec1_004103 (CAS 900601-97-0), with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol. IUPAC: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of TimTec1_004103
Property Insights of TimTec1_004103
The XLogP value of 5.10122 indicates that TimTec1_004103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004103. Following Lipinski's Rule of Five, TimTec1_004103 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_004103?
The CAS number of TimTec1_004103 is 900601-97-0.
What is the molecular formula of TimTec1_004103?
The molecular formula of TimTec1_004103 is C22H22N2O3S.
What is the molecular weight of TimTec1_004103?
The molecular weight of TimTec1_004103 is 394.14 g/mol.
Where can I buy TimTec1_004103?
You can request a quote for TimTec1_004103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004103?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.