CBKinase1_003982
TL;DR: CBKinase1_003982 (CAS 496025-39-9) is a chemical compound with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: CBKinase1_003982, CBKinase1_016382, UPCMLD0ENAT0513-6029:001, AF-399/40923262, BRD-K77844716-001-01-7
| Molecular Formula | C22H21N3O5S2 |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 3.79242 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.09225 |
| Heavy Atoms | 32 |
| Complexity | 1203.7697 |
Chemical Identifiers
| CAS Number | 496025-39-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC |
Product Overview
CBKinase1_003982 (CAS 496025-39-9), with molecular formula C22H21N3O5S2 and molecular weight 471.09 g/mol. IUPAC: dimethyl 5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of CBKinase1_003982
Property Insights of CBKinase1_003982
The XLogP value of 3.79242 indicates that CBKinase1_003982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003982. Following Lipinski's Rule of Five, CBKinase1_003982 has 1 hydrogen bond donor(s) and 9 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_003982?
The CAS number of CBKinase1_003982 is 496025-39-9.
What is the molecular formula of CBKinase1_003982?
The molecular formula of CBKinase1_003982 is C22H21N3O5S2.
What is the molecular weight of CBKinase1_003982?
The molecular weight of CBKinase1_003982 is 471.09 g/mol.
Where can I buy CBKinase1_003982?
You can request a quote for CBKinase1_003982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003982?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.