1,4-Butanediol bis(beta-aminocrotonate
TL;DR: 1,4-Butanediol bis(beta-aminocrotonate (CAS 120218-36-2) 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-[(E)-3-aminobut-2-enoyl]oxybutyl (E)-3-aminobut-2-enoate
Also Known As: EINECS 238-059-1, Butanediyl bis(3-aminobut-2-enoate), 1,4-Butanediol bis(3-aminocrotonate), 1,4-Butanediol bis(beta-aminocrotonate, 2-Butenoic acid, 3-amino-, 1,4-butanediyl ester
| Molecular Formula | C12H20N2O4 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 0.578 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.1423 |
| Heavy Atoms | 18 |
| Complexity | 305.98657 |
Chemical Identifiers
| CAS Number | 120218-36-2 |
|---|---|
| SMILES | C/C(=C\C(=O)OCCCCOC(=O)/C=C(/N)\C)/N |
Product Overview
1,4-Butanediol bis(beta-aminocrotonate (CAS 120218-36-2), with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol. IUPAC: 4-[(E)-3-aminobut-2-enoyl]oxybutyl (E)-3-aminobut-2-enoate.
Chemical Property Profile of 1,4-Butanediol bis(beta-aminocrotonate
Property Insights of 1,4-Butanediol bis(beta-aminocrotonate
The XLogP value of 0.578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol bis(beta-aminocrotonate. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanediol bis(beta-aminocrotonate. Following Lipinski's Rule of Five, 1,4-Butanediol bis(beta-aminocrotonate 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 1,4-Butanediol bis(beta-aminocrotonate?
The CAS number of 1,4-Butanediol bis(beta-aminocrotonate is 120218-36-2.
What is the molecular formula of 1,4-Butanediol bis(beta-aminocrotonate?
The molecular formula of 1,4-Butanediol bis(beta-aminocrotonate is C12H20N2O4.
What is the molecular weight of 1,4-Butanediol bis(beta-aminocrotonate?
The molecular weight of 1,4-Butanediol bis(beta-aminocrotonate is 256.14 g/mol.
Where can I buy 1,4-Butanediol bis(beta-aminocrotonate?
You can request a quote for 1,4-Butanediol bis(beta-aminocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol bis(beta-aminocrotonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol bis(beta-aminocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.