CBKinase1_006077
TL;DR: CBKinase1_006077 (CAS 627889-33-2) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[3-(5-methylfuran-2-yl)propanoylamino]benzene-1,4-dicarboxylate
Also Known As: CBKinase1_006077, CBKinase1_018477, BAS 07336541, 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester, dimethyl 2-(3-(5-methylfuran-2-yl)propanamido)terephthalate
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 2.73252 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 792.614 |
Chemical Identifiers
| CAS Number | 627889-33-2 |
|---|---|
| SMILES | CC1=CC=C(O1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
CBKinase1_006077 (CAS 627889-33-2), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: dimethyl 2-[3-(5-methylfuran-2-yl)propanoylamino]benzene-1,4-dicarboxylate.
Chemical Property Profile of CBKinase1_006077
Property Insights of CBKinase1_006077
The XLogP value of 2.73252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006077. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006077. Following Lipinski's Rule of Five, CBKinase1_006077 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_006077?
The CAS number of CBKinase1_006077 is 627889-33-2.
What is the molecular formula of CBKinase1_006077?
The molecular formula of CBKinase1_006077 is C18H19NO6.
What is the molecular weight of CBKinase1_006077?
The molecular weight of CBKinase1_006077 is 345.12 g/mol.
Where can I buy CBKinase1_006077?
You can request a quote for CBKinase1_006077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006077?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.