CBKinase1_003063
TL;DR: CBKinase1_003063 (CAS 694443-84-0) is a chemical compound with molecular formula C19H20N2O7S and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]benzoate
Also Known As: CBKinase1_003063, CBKinase1_015463, BRD-K45163306-001-01-7, methyl 2-{[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(methylsulfonyl)glycyl]amino}benzoate, methyl 2-(2-(N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylsulfonamido)acetamido)benzoate
| Molecular Formula | C19H20N2O7S |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 1.6491 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09912 |
| Heavy Atoms | 29 |
| Complexity | 1036.6033 |
Chemical Identifiers
| CAS Number | 694443-84-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C |
Product Overview
CBKinase1_003063 (CAS 694443-84-0), with molecular formula C19H20N2O7S and molecular weight 420.10 g/mol. IUPAC: methyl 2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_003063
Property Insights of CBKinase1_003063
The XLogP value of 1.6491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003063. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003063. Following Lipinski's Rule of Five, CBKinase1_003063 has 1 hydrogen bond donor(s) and 7 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_003063?
The CAS number of CBKinase1_003063 is 694443-84-0.
What is the molecular formula of CBKinase1_003063?
The molecular formula of CBKinase1_003063 is C19H20N2O7S.
What is the molecular weight of CBKinase1_003063?
The molecular weight of CBKinase1_003063 is 420.10 g/mol.
Where can I buy CBKinase1_003063?
You can request a quote for CBKinase1_003063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003063?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.