benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
TL;DR: benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate (CAS 20794-07-4) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Z-His-OBzl, benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 2.9906 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 867.19086 |
Chemical Identifiers
| CAS Number | 20794-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate (CAS 20794-07-4), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
Property Insights of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
The XLogP value of 2.9906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate. Following Lipinski's Rule of Five, benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate has 2 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-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate?
The CAS number of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate is 20794-07-4.
What is the molecular formula of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate?
The molecular formula of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate is C21H21N3O4.
What is the molecular weight of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate?
The molecular weight of benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate is 379.15 g/mol.
Where can I buy benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate?
You can request a quote for benzyl 3-(1H-imidazol-5-yl)-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-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.