CBKinase1_006580
TL;DR: CBKinase1_006580 (CAS 701280-58-2) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate
Also Known As: CBKinase1_006580, CBKinase1_018980, methyl 2-(3-(3-acetamidophenyl)thioureido)-5-benzylthiophene-3-carboxylate, methyl 2-({[3-(acetylamino)phenyl]carbamothioyl}amino)-5-benzylthiophene-3-carboxylate, methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 4.8928 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1064.4995 |
Chemical Identifiers
| CAS Number | 701280-58-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC |
Product Overview
CBKinase1_006580 (CAS 701280-58-2), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006580
Property Insights of CBKinase1_006580
The XLogP value of 4.8928 indicates that CBKinase1_006580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006580. Following Lipinski's Rule of Five, CBKinase1_006580 has 3 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_006580?
The CAS number of CBKinase1_006580 is 701280-58-2.
What is the molecular formula of CBKinase1_006580?
The molecular formula of CBKinase1_006580 is C22H21N3O3S2.
What is the molecular weight of CBKinase1_006580?
The molecular weight of CBKinase1_006580 is 439.10 g/mol.
Where can I buy CBKinase1_006580?
You can request a quote for CBKinase1_006580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006580?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.