DI-T-Butyl iminodiacetate
TL;DR: DI-T-Butyl iminodiacetate (CAS 85916-13-8) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
Also Known As: Di-tert-butyl iminodiacetate, NH-bis(C1-Boc), di-t-butyl iminodiacetate, Di-tert-butyl 2,2'-azanediyldiacetate, di-t-butyliminodiacetate
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.2594 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 245.21066 |
Chemical Identifiers
| CAS Number | 85916-13-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C |
Product Overview
DI-T-Butyl iminodiacetate (CAS 85916-13-8), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
Chemical Property Profile of DI-T-Butyl iminodiacetate
Property Insights of DI-T-Butyl iminodiacetate
The XLogP value of 1.2594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI-T-Butyl iminodiacetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for DI-T-Butyl iminodiacetate. Following Lipinski's Rule of Five, DI-T-Butyl iminodiacetate has 1 hydrogen bond donor(s) and 5 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 DI-T-Butyl iminodiacetate?
The CAS number of DI-T-Butyl iminodiacetate is 85916-13-8.
What is the molecular formula of DI-T-Butyl iminodiacetate?
The molecular formula of DI-T-Butyl iminodiacetate is C12H23NO4.
What is the molecular weight of DI-T-Butyl iminodiacetate?
The molecular weight of DI-T-Butyl iminodiacetate is 245.16 g/mol.
Where can I buy DI-T-Butyl iminodiacetate?
You can request a quote for DI-T-Butyl iminodiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DI-T-Butyl iminodiacetate?
Yes, KEHONG BIO provides custom synthesis services for DI-T-Butyl iminodiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.