Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate
TL;DR: Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate (CAS 730971-63-8) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-isocyano-3-(4-phenylmethoxyphenyl)propanoate
Also Known As: Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate, Methyl 3-isocyano-3-(4-phenylmethoxyphenyl)propanoate, METHYL-3-ISOCYANO-3- PROPIONATE, Benzenepropanoic acid, b-isocyano-4-(phenylmethoxy)-,methyl ester
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.78909 |
| Topological Polar Surface Area | 39.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 644.28253 |
Chemical Identifiers
| CAS Number | 730971-63-8 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]#[C-] |
Product Overview
Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate (CAS 730971-63-8), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: methyl 3-isocyano-3-(4-phenylmethoxyphenyl)propanoate.
Chemical Property Profile of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate
Property Insights of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate
The XLogP value of 3.78909 indicates that Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.89 Ų, Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate has 0 hydrogen bond donor(s) and 3 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 Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate?
The CAS number of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate is 730971-63-8.
What is the molecular formula of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate?
The molecular formula of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate is C18H17NO3.
What is the molecular weight of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate?
The molecular weight of Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate is 295.12 g/mol.
Where can I buy Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate?
You can request a quote for Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.