(4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate
TL;DR: (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate (CAS 3642-91-9) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate
Also Known As: Z-beta-Ala-ONp, Z-, A-Ala-ONp, Z-, A-alanine 4-nitrophenyl ester
| Molecular Formula | C17H16N2O6 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.8167 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.10083 |
| Heavy Atoms | 25 |
| Complexity | 730.5631 |
Chemical Identifiers
| CAS Number | 3642-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate (CAS 3642-91-9), with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol. IUPAC: (4-nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate
Property Insights of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate
The XLogP value of 2.8167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate. Following Lipinski's Rule of Five, (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate 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 (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate?
The CAS number of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate is 3642-91-9.
What is the molecular formula of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate?
The molecular formula of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate is C17H16N2O6.
What is the molecular weight of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate?
The molecular weight of (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate is 344.10 g/mol.
Where can I buy (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate?
You can request a quote for (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl) 3-(phenylmethoxycarbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.