![Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate structure](/static/products/808/808764-19-4.png)
Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
TL;DR: Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate (CAS 808764-19-4) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
Also Known As: methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate, Methyl O-tert-butyl-N-(oxomethylidene)tyrosinate, 3-(4-tert-Butoxyphenyl)-2-isocyanatopropionicacid methyl ester, 3-(4-tert-Butoxyphenyl)-2-isocyanatopropionicacidmethylester, 3-(4-TERT-BUTOXY-PHENYL)-2-ISOCYANATO-PROPIONIC ACID METHYL ESTER
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.2838 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 495.59995 |
Chemical Identifiers
| CAS Number | 808764-19-4 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC)N=C=O |
Product Overview
Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate (CAS 808764-19-4), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate.
Chemical Property Profile of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
Property Insights of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
The XLogP value of 2.2838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate. Following Lipinski's Rule of Five, Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate has 0 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 Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate?
The CAS number of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate is 808764-19-4.
What is the molecular formula of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate?
The molecular formula of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate is C15H19NO4.
What is the molecular weight of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate?
The molecular weight of Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate is 277.13 g/mol.
Where can I buy Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate?
You can request a quote for Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isocyanato-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.