1,4-Butanediamine adipate
TL;DR: 1,4-Butanediamine adipate (CAS 50327-77-0) is a chemical compound with molecular formula C10H22N2O4 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diamine;hexanedioic acid
Also Known As: Putrescine, adipate, Nylon 46 salt, 1,4-Butanediamine adipate, Adipic acid 1,4-butanediamine salt, Adipic acid tetramethylenediamine salt
| Molecular Formula | C10H22N2O4 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.15796 |
| Heavy Atoms | 16 |
| Complexity | 165.65784 |
Chemical Identifiers
| CAS Number | 50327-77-0 |
|---|---|
| SMILES | C(CCC(=O)O)CC(=O)O.C(CCN)CN |
Product Overview
1,4-Butanediamine adipate (CAS 50327-77-0), with molecular formula C10H22N2O4 and molecular weight 234.16 g/mol. IUPAC: butane-1,4-diamine;hexanedioic acid.
Chemical Property Profile of 1,4-Butanediamine adipate
Property Insights of 1,4-Butanediamine adipate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediamine adipate. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanediamine adipate. Following Lipinski's Rule of Five, 1,4-Butanediamine adipate has 4 hydrogen bond donor(s) and 4 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 1,4-Butanediamine adipate?
The CAS number of 1,4-Butanediamine adipate is 50327-77-0.
What is the molecular formula of 1,4-Butanediamine adipate?
The molecular formula of 1,4-Butanediamine adipate is C10H22N2O4.
What is the molecular weight of 1,4-Butanediamine adipate?
The molecular weight of 1,4-Butanediamine adipate is 234.16 g/mol.
Where can I buy 1,4-Butanediamine adipate?
You can request a quote for 1,4-Butanediamine adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediamine adipate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediamine adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.