Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate
TL;DR: Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate (CAS 135722-55-3) is a chemical compound with molecular formula C15H25NO6 and molecular weight 315.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylpropanedioate
Also Known As: DIETHYL2-ALLYL-2- MALONATE, DIETHYL 2-ALLYL-2-(TERT-BUTOXYCARBONYLAMINO)MALONATE, Diethyl 2-Allyl-2-(Boc-amino)malonate, K-4327, DIETHYL2-ALLYL-2-(TERT-BUTOXYCARBONYLAMINO)MALONATE
Technical Specifications
| Molecular Formula | C15H25NO6 |
| Molecular Weight | 315.16818 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 315.16818 Da |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
| SMILES | CCOC(=O)C(CC=C)(C(=O)OCC)NC(=O)OC(C)(C)C |
| InChIKey | JZHKOSHRDYOGFE-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate
Property Insights of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate. Following Lipinski's Rule of Five, Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate?
The CAS number of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate is 135722-55-3.
What is the molecular formula of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate?
The molecular formula of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate is C15H25NO6.
What is the molecular weight of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate?
The molecular weight of Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate is 315.16818 g/mol.
Where can I buy Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate?
You can request a quote for Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-allyl-2-(tert-butoxycarbonylamino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.