CBKinase1_006389
TL;DR: CBKinase1_006389 (CAS 706762-87-0) is a chemical compound with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridin-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_006389, CBKinase1_018789, ethyl 2-({[(2-pyridylmethyl)amino]thioxomethyl}amino)-4,5,6,7,8-pentahydrocycl ohepta[2,1-b]thiophene-3-carboxylate, ethyl 2-(3-(pyridin-2-ylmethyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(pyridin-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H23N3O2S2 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.0753 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.12317 |
| Heavy Atoms | 26 |
| Complexity | 774.5915 |
Chemical Identifiers
| CAS Number | 706762-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CC=N3 |
Product Overview
CBKinase1_006389 (CAS 706762-87-0), with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol. IUPAC: ethyl 2-(pyridin-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006389
Property Insights of CBKinase1_006389
The XLogP value of 4.0753 indicates that CBKinase1_006389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006389. Following Lipinski's Rule of Five, CBKinase1_006389 has 2 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_006389?
The CAS number of CBKinase1_006389 is 706762-87-0.
What is the molecular formula of CBKinase1_006389?
The molecular formula of CBKinase1_006389 is C19H23N3O2S2.
What is the molecular weight of CBKinase1_006389?
The molecular weight of CBKinase1_006389 is 389.12 g/mol.
Where can I buy CBKinase1_006389?
You can request a quote for CBKinase1_006389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006389?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.