CBKinase1_004677
TL;DR: CBKinase1_004677 (CAS 587008-36-4) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide
Also Known As: CBKinase1_004677, CBKinase1_017077, BAS 07387432, BRD-K68460100-001-01-7, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.91478 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 807.4859 |
Chemical Identifiers
| CAS Number | 587008-36-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
CBKinase1_004677 (CAS 587008-36-4), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methoxyphenoxy)acetamide.
Chemical Property Profile of CBKinase1_004677
Property Insights of CBKinase1_004677
The XLogP value of 3.91478 indicates that CBKinase1_004677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004677. Following Lipinski's Rule of Five, CBKinase1_004677 has 1 hydrogen bond donor(s) and 5 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_004677?
The CAS number of CBKinase1_004677 is 587008-36-4.
What is the molecular formula of CBKinase1_004677?
The molecular formula of CBKinase1_004677 is C19H20N2O3S.
What is the molecular weight of CBKinase1_004677?
The molecular weight of CBKinase1_004677 is 356.12 g/mol.
Where can I buy CBKinase1_004677?
You can request a quote for CBKinase1_004677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004677?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.