CBKinase1_007301
TL;DR: CBKinase1_007301 (CAS 708229-03-2) is a chemical compound with molecular formula C26H31N3O4S3 and molecular weight 545.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_007301, CBKinase1_019701, BRD-K50954066-001-01-1, methyl 2-({[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylsulfamoyl)phenyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(3-(4-(N-(adamantan-1-yl)sulfamoyl)phenyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C26H31N3O4S3 |
|---|---|
| Molecular Weight | 545.15 g/mol |
| LogP | 5.0794 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.14764 |
| Heavy Atoms | 36 |
| Complexity | 1281.3601 |
Chemical Identifiers
| CAS Number | 708229-03-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5 |
Product Overview
CBKinase1_007301 (CAS 708229-03-2), with molecular formula C26H31N3O4S3 and molecular weight 545.15 g/mol. IUPAC: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007301
Property Insights of CBKinase1_007301
The XLogP value of 5.0794 indicates that CBKinase1_007301 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_007301. Following Lipinski's Rule of Five, CBKinase1_007301 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_007301?
The CAS number of CBKinase1_007301 is 708229-03-2.
What is the molecular formula of CBKinase1_007301?
The molecular formula of CBKinase1_007301 is C26H31N3O4S3.
What is the molecular weight of CBKinase1_007301?
The molecular weight of CBKinase1_007301 is 545.15 g/mol.
Where can I buy CBKinase1_007301?
You can request a quote for CBKinase1_007301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007301?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.