Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester
TL;DR: Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester (CAS 4404-90-4) is a chemical compound with molecular formula C18H18Cl2N2O4 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(5-chloro-3-pyridinyl)methyl] hexanedioate
Also Known As: bis[(5-chloropyridin-3-yl)methyl] hexanedioate, Bis((5-chloro-3-pyridinyl)methyl) hexanedioate, Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester, Hexanedioic acid,bis((5-chloro-3-pyridinyl)methyl) ester, BRN 1513107
| Molecular Formula | C18H18Cl2N2O4 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.06436 |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 4404-90-4 |
|---|---|
| SMILES | C1=C(C=NC=C1Cl)COC(=O)CCCCC(=O)OCC2=CC(=CN=C2)Cl |
| InChIKey | OVYJJSSBRLTNQS-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester (CAS 4404-90-4), with molecular formula C18H18Cl2N2O4 and molecular weight 396.06 g/mol. IUPAC: bis[(5-chloro-3-pyridinyl)methyl] hexanedioate.
Chemical Property Profile of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester
Property Insights of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester. Following Lipinski's Rule of Five, Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester has 0 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 Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester?
The CAS number of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester is 4404-90-4.
What is the molecular formula of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester?
The molecular formula of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester is C18H18Cl2N2O4.
What is the molecular weight of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester?
The molecular weight of Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester is 396.06 g/mol.
Where can I buy Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester?
You can request a quote for Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.