CBKinase1_006582
TL;DR: CBKinase1_006582 (CAS 588711-22-2) is a chemical compound with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: CBKinase1_006582, CBKinase1_018982, BRD-K98157642-001-01-8, methyl 4,5-dimethyl-2-({[(3-pyridylmethyl)amino]thioxomethyl}amino)thiophene-3 -carboxylate, methyl 4,5-dimethyl-2-(3-(pyridin-3-ylmethyl)thioureido)thiophene-3-carboxylate
| Molecular Formula | C15H17N3O2S2 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.03314 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07623 |
| Heavy Atoms | 22 |
| Complexity | 683.59607 |
Chemical Identifiers
| CAS Number | 588711-22-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN=CC=C2)C |
Product Overview
CBKinase1_006582 (CAS 588711-22-2), with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol. IUPAC: methyl 4,5-dimethyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006582
Property Insights of CBKinase1_006582
The XLogP value of 3.03314 indicates that CBKinase1_006582 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_006582. Following Lipinski's Rule of Five, CBKinase1_006582 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_006582?
The CAS number of CBKinase1_006582 is 588711-22-2.
What is the molecular formula of CBKinase1_006582?
The molecular formula of CBKinase1_006582 is C15H17N3O2S2.
What is the molecular weight of CBKinase1_006582?
The molecular weight of CBKinase1_006582 is 335.08 g/mol.
Where can I buy CBKinase1_006582?
You can request a quote for CBKinase1_006582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006582?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.