CBKinase1_007136
TL;DR: CBKinase1_007136 (CAS 588679-60-1) is a chemical compound with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridin-2-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_007136, CBKinase1_019536, BRD-K90090561-001-01-6, methyl 2-({[(2-pyridylmethyl)amino]thioxomethyl}amino)-4,5,6-trihydrocyclopent a[2,1-b]thiophene-3-carboxylate, methyl 2-(3-(pyridin-2-ylmethyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H17N3O2S2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.905 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.07623 |
| Heavy Atoms | 23 |
| Complexity | 728.42664 |
Chemical Identifiers
| CAS Number | 588679-60-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CC=N3 |
Product Overview
CBKinase1_007136 (CAS 588679-60-1), with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol. IUPAC: methyl 2-(pyridin-2-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007136
Property Insights of CBKinase1_007136
The XLogP value of 2.905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007136. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007136. Following Lipinski's Rule of Five, CBKinase1_007136 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_007136?
The CAS number of CBKinase1_007136 is 588679-60-1.
What is the molecular formula of CBKinase1_007136?
The molecular formula of CBKinase1_007136 is C16H17N3O2S2.
What is the molecular weight of CBKinase1_007136?
The molecular weight of CBKinase1_007136 is 347.08 g/mol.
Where can I buy CBKinase1_007136?
You can request a quote for CBKinase1_007136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007136?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.