Butanediyl bis(3-aminobut-2-enoate)
TL;DR: Butanediyl bis(3-aminobut-2-enoate) (CAS 14205-47-1) is a chemical compound with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate
Also Known As: Butanediyl bis(3-aminobut-2-enoate), 1,4-Butanediol bis(3-aminocrotonate), 2-Butenoic acid, 3-amino-, 1,4-butanediyl ester, butane-1,4-diyl bis(3-aminobut-2-enoate), 1,4-Butanediol bis(beta-aminocrotonate)
| Molecular Formula | C12H20N2O4 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 256.1423 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 14205-47-1 |
|---|---|
| SMILES | CC(=CC(=O)OCCCCOC(=O)C=C(C)N)N |
| InChIKey | DFUXQARZEWMFLQ-UHFFFAOYSA-N |
Product Overview
Butanediyl bis(3-aminobut-2-enoate) (CAS 14205-47-1), with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol. IUPAC: 4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate.
Chemical Property Profile of Butanediyl bis(3-aminobut-2-enoate)
Property Insights of Butanediyl bis(3-aminobut-2-enoate)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanediyl bis(3-aminobut-2-enoate). The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanediyl bis(3-aminobut-2-enoate). Following Lipinski's Rule of Five, Butanediyl bis(3-aminobut-2-enoate) has 2 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 Butanediyl bis(3-aminobut-2-enoate)?
The CAS number of Butanediyl bis(3-aminobut-2-enoate) is 14205-47-1.
What is the molecular formula of Butanediyl bis(3-aminobut-2-enoate)?
The molecular formula of Butanediyl bis(3-aminobut-2-enoate) is C12H20N2O4.
What is the molecular weight of Butanediyl bis(3-aminobut-2-enoate)?
The molecular weight of Butanediyl bis(3-aminobut-2-enoate) is 256.14 g/mol.
Where can I buy Butanediyl bis(3-aminobut-2-enoate)?
You can request a quote for Butanediyl bis(3-aminobut-2-enoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanediyl bis(3-aminobut-2-enoate)?
Yes, KEHONG BIO provides custom synthesis services for Butanediyl bis(3-aminobut-2-enoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.