Benzyl Tert-butyl Carbonate
TL;DR: Benzyl Tert-butyl Carbonate (CAS 60470-15-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl tert-butyl carbonate
Also Known As: Benzyl Tert-butyl Carbonate, Sitagliptin Impurity 67, Carbonic acid tert-butylbenzyl ester, Carbonic acid benzyl tert-butyl ester, Carbonic acid O-benzyl O-tert-butyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.1383 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 311.38916 |
Chemical Identifiers
| CAS Number | 60470-15-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl Tert-butyl Carbonate (CAS 60470-15-7), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: benzyl tert-butyl carbonate.
Chemical Property Profile of Benzyl Tert-butyl Carbonate
Property Insights of Benzyl Tert-butyl Carbonate
The XLogP value of 3.1383 indicates that Benzyl Tert-butyl Carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzyl Tert-butyl Carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl Tert-butyl Carbonate 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 Benzyl Tert-butyl Carbonate?
The CAS number of Benzyl Tert-butyl Carbonate is 60470-15-7.
What is the molecular formula of Benzyl Tert-butyl Carbonate?
The molecular formula of Benzyl Tert-butyl Carbonate is C12H16O3.
What is the molecular weight of Benzyl Tert-butyl Carbonate?
The molecular weight of Benzyl Tert-butyl Carbonate is 208.11 g/mol.
Where can I buy Benzyl Tert-butyl Carbonate?
You can request a quote for Benzyl Tert-butyl Carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Tert-butyl Carbonate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Tert-butyl Carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.