CBKinase1_006597
TL;DR: CBKinase1_006597 (CAS 706777-45-9) is a chemical compound with molecular formula C21H21N3O4S3 and molecular weight 475.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate
Also Known As: CBKinase1_006597, CBKinase1_018997, methyl 5-methyl-2-({[(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)amino]thioxome thyl}amino)thiophene-3-carboxylate, methyl 5-methyl-2-(3-(4-(4-methylphenylsulfonamido)phenyl)thioureido)thiophene-3-carboxylate, methyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C21H21N3O4S3 |
|---|---|
| Molecular Weight | 475.07 g/mol |
| LogP | 4.76124 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.06943 |
| Heavy Atoms | 31 |
| Complexity | 1201.6719 |
Chemical Identifiers
| CAS Number | 706777-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC |
Product Overview
CBKinase1_006597 (CAS 706777-45-9), with molecular formula C21H21N3O4S3 and molecular weight 475.07 g/mol. IUPAC: methyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006597
Property Insights of CBKinase1_006597
The XLogP value of 4.76124 indicates that CBKinase1_006597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006597. Following Lipinski's Rule of Five, CBKinase1_006597 has 3 hydrogen bond donor(s) and 6 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_006597?
The CAS number of CBKinase1_006597 is 706777-45-9.
What is the molecular formula of CBKinase1_006597?
The molecular formula of CBKinase1_006597 is C21H21N3O4S3.
What is the molecular weight of CBKinase1_006597?
The molecular weight of CBKinase1_006597 is 475.07 g/mol.
Where can I buy CBKinase1_006597?
You can request a quote for CBKinase1_006597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006597?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.