Bis(3-methoxybutyl) butanedioate
TL;DR: Bis(3-methoxybutyl) butanedioate (CAS 56045-71-7) is a chemical compound with molecular formula C14H26O6 and molecular weight 290.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methoxybutyl) butanedioate
Also Known As: bis(3-methoxybutyl) butanedioate, di-(3-Methoxybutyl)succinate, Succinic acid bis(3-methoxybutyl) ester, Butanedioic acid bis(3-methoxybutyl) ester, 1,4-BIS(3-METHOXYBUTYL) BUTANEDIOATE
| Molecular Formula | C14H26O6 |
|---|---|
| Molecular Weight | 290.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 290.17294 |
| Heavy Atoms | 20 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 56045-71-7 |
|---|---|
| SMILES | CC(CCOC(=O)CCC(=O)OCCC(C)OC)OC |
| InChIKey | NQQXSMSMEDVFBP-UHFFFAOYSA-N |
Product Overview
Bis(3-methoxybutyl) butanedioate (CAS 56045-71-7), with molecular formula C14H26O6 and molecular weight 290.17 g/mol. IUPAC: bis(3-methoxybutyl) butanedioate.
Chemical Property Profile of Bis(3-methoxybutyl) butanedioate
Property Insights of Bis(3-methoxybutyl) butanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(3-methoxybutyl) butanedioate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3-methoxybutyl) butanedioate. Following Lipinski's Rule of Five, Bis(3-methoxybutyl) butanedioate 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 Bis(3-methoxybutyl) butanedioate?
The CAS number of Bis(3-methoxybutyl) butanedioate is 56045-71-7.
What is the molecular formula of Bis(3-methoxybutyl) butanedioate?
The molecular formula of Bis(3-methoxybutyl) butanedioate is C14H26O6.
What is the molecular weight of Bis(3-methoxybutyl) butanedioate?
The molecular weight of Bis(3-methoxybutyl) butanedioate is 290.17 g/mol.
Where can I buy Bis(3-methoxybutyl) butanedioate?
You can request a quote for Bis(3-methoxybutyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-methoxybutyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-methoxybutyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.