Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate
TL;DR: Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate (CAS 82215-18-7) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-cyano-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: BENZYL 3-CYANO-2-PHENYLMETHOXYCARBONYLAMINO-PROPANOATE, benzyl 3-cyano-2-(phenylmethoxycarbonylamino)propanoate, BENZYL 2-{[(BENZYLOXY)CARBONYL]AMINO}-3-CYANOPROPANOATE
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 82215-18-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC#N)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | RGPNTUFXRPJOBA-UHFFFAOYSA-N |
Product Overview
Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate (CAS 82215-18-7), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: benzyl 3-cyano-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate
Property Insights of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate. Following Lipinski's Rule of Five, Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate 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 Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate?
The CAS number of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate is 82215-18-7.
What is the molecular formula of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate?
The molecular formula of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate is C19H18N2O4.
What is the molecular weight of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate?
The molecular weight of Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate is 338.13 g/mol.
Where can I buy Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate?
You can request a quote for Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-cyano-2-phenylmethoxycarbonylamino-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.