Benzyl 2-isocyanato-propionate
TL;DR: Benzyl 2-isocyanato-propionate (CAS 110455-07-7) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-isocyanatopropanoate
Also Known As: benzyl 2-isocyanatopropanoate, benzyl 2-isocyanato-propionate, Propanoic acid, 2-isocyanato-, phenylmethyl ester, (S)-
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.4541 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 368.67923 |
Chemical Identifiers
| CAS Number | 110455-07-7 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)N=C=O |
Product Overview
Benzyl 2-isocyanato-propionate (CAS 110455-07-7), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: benzyl 2-isocyanatopropanoate.
Chemical Property Profile of Benzyl 2-isocyanato-propionate
Property Insights of Benzyl 2-isocyanato-propionate
The XLogP value of 1.4541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-isocyanato-propionate. With a topological polar surface area (TPSA) of 55.73 Ų, Benzyl 2-isocyanato-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-isocyanato-propionate has 0 hydrogen bond donor(s) and 4 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 2-isocyanato-propionate?
The CAS number of Benzyl 2-isocyanato-propionate is 110455-07-7.
What is the molecular formula of Benzyl 2-isocyanato-propionate?
The molecular formula of Benzyl 2-isocyanato-propionate is C11H11NO3.
What is the molecular weight of Benzyl 2-isocyanato-propionate?
The molecular weight of Benzyl 2-isocyanato-propionate is 205.07 g/mol.
Where can I buy Benzyl 2-isocyanato-propionate?
You can request a quote for Benzyl 2-isocyanato-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-isocyanato-propionate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-isocyanato-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.