CBKinase1_004664
TL;DR: CBKinase1_004664 (CAS 641606-61-3) is a chemical compound with molecular formula C25H26N2O5S2 and molecular weight 498.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_004664, CBKinase1_017064, BRD-K72369584-001-01-9, methyl 2-{[(4-{methyl[(4-methylphenyl)sulfonyl]amino}phenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4-(N,4-dimethylphenylsulfonamido)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H26N2O5S2 |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 4.79932 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.12833 |
| Heavy Atoms | 34 |
| Complexity | 1326.8756 |
Chemical Identifiers
| CAS Number | 641606-61-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC |
Product Overview
CBKinase1_004664 (CAS 641606-61-3), with molecular formula C25H26N2O5S2 and molecular weight 498.13 g/mol. IUPAC: methyl 2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_004664
Property Insights of CBKinase1_004664
The XLogP value of 4.79932 indicates that CBKinase1_004664 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004664. Following Lipinski's Rule of Five, CBKinase1_004664 has 1 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_004664?
The CAS number of CBKinase1_004664 is 641606-61-3.
What is the molecular formula of CBKinase1_004664?
The molecular formula of CBKinase1_004664 is C25H26N2O5S2.
What is the molecular weight of CBKinase1_004664?
The molecular weight of CBKinase1_004664 is 498.13 g/mol.
Where can I buy CBKinase1_004664?
You can request a quote for CBKinase1_004664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004664?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.