CBKinase1_000569
TL;DR: CBKinase1_000569 (CAS 329221-90-1) is a chemical compound with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_000569, CBKinase1_012969, 2-{[(2,4-dichlorophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[2-(2,4-dichlorophenoxy)acetylamino]-6-methyl-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxamide
| Molecular Formula | C18H18Cl2N2O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 4.2961 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0415 |
| Heavy Atoms | 26 |
| Complexity | 866.3614 |
Chemical Identifiers
| CAS Number | 329221-90-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_000569 (CAS 329221-90-1), with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol. IUPAC: 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_000569
Property Insights of CBKinase1_000569
The XLogP value of 4.2961 indicates that CBKinase1_000569 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000569. Following Lipinski's Rule of Five, CBKinase1_000569 has 2 hydrogen bond donor(s) and 4 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 CBKinase1_000569?
The CAS number of CBKinase1_000569 is 329221-90-1.
What is the molecular formula of CBKinase1_000569?
The molecular formula of CBKinase1_000569 is C18H18Cl2N2O3S.
What is the molecular weight of CBKinase1_000569?
The molecular weight of CBKinase1_000569 is 412.04 g/mol.
Where can I buy CBKinase1_000569?
You can request a quote for CBKinase1_000569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000569?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.