CBKinase1_005486
TL;DR: CBKinase1_005486 (CAS 701220-41-9) is a chemical compound with molecular formula C20H23ClN2O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: CBKinase1_005486, CBKinase1_017886, 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-{[(4-chloro-3,5-dimethylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C20H23ClN2O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 4.40364 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1118 |
| Heavy Atoms | 27 |
| Complexity | 868.58734 |
Chemical Identifiers
| CAS Number | 701220-41-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N |
Product Overview
CBKinase1_005486 (CAS 701220-41-9), with molecular formula C20H23ClN2O3S and molecular weight 406.11 g/mol. IUPAC: 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_005486
Property Insights of CBKinase1_005486
The XLogP value of 4.40364 indicates that CBKinase1_005486 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_005486. Following Lipinski's Rule of Five, CBKinase1_005486 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_005486?
The CAS number of CBKinase1_005486 is 701220-41-9.
What is the molecular formula of CBKinase1_005486?
The molecular formula of CBKinase1_005486 is C20H23ClN2O3S.
What is the molecular weight of CBKinase1_005486?
The molecular weight of CBKinase1_005486 is 406.11 g/mol.
Where can I buy CBKinase1_005486?
You can request a quote for CBKinase1_005486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005486?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.