Diethyl 2-(benzyloxycarbonylamino)malonate
TL;DR: Diethyl 2-(benzyloxycarbonylamino)malonate (CAS 30222-10-7) is a chemical compound with molecular formula C15H19NO6 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(phenylmethoxycarbonylamino)propanedioate
Also Known As: diethyl 2-(benzyloxycarbonylamino)malonate, Diethyl 2-(((benzyloxy)carbonyl)amino)malonate, DIETHYL2- MALONATE, NCIOpen2_009812, diethyl 2-(phenylmethoxycarbonylamino)propanedioate
| Molecular Formula | C15H19NO6 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 309.12125 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 30222-10-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | RKUPWPSMWSKJQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(benzyloxycarbonylamino)malonate (CAS 30222-10-7), with molecular formula C15H19NO6 and molecular weight 309.12 g/mol. IUPAC: diethyl 2-(phenylmethoxycarbonylamino)propanedioate.
Chemical Property Profile of Diethyl 2-(benzyloxycarbonylamino)malonate
Property Insights of Diethyl 2-(benzyloxycarbonylamino)malonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(benzyloxycarbonylamino)malonate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(benzyloxycarbonylamino)malonate. Following Lipinski's Rule of Five, Diethyl 2-(benzyloxycarbonylamino)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
Frequently Asked Questions
What is the CAS number of Diethyl 2-(benzyloxycarbonylamino)malonate?
The CAS number of Diethyl 2-(benzyloxycarbonylamino)malonate is 30222-10-7.
What is the molecular formula of Diethyl 2-(benzyloxycarbonylamino)malonate?
The molecular formula of Diethyl 2-(benzyloxycarbonylamino)malonate is C15H19NO6.
What is the molecular weight of Diethyl 2-(benzyloxycarbonylamino)malonate?
The molecular weight of Diethyl 2-(benzyloxycarbonylamino)malonate is 309.12 g/mol.
Where can I buy Diethyl 2-(benzyloxycarbonylamino)malonate?
You can request a quote for Diethyl 2-(benzyloxycarbonylamino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(benzyloxycarbonylamino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(benzyloxycarbonylamino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.