1-(Benzyloxy)propan-2-yl acetate
TL;DR: 1-(Benzyloxy)propan-2-yl acetate (CAS 13987-03-6) 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.
1-phenylmethoxypropan-2-yl acetate
Also Known As: 1-(benzyloxy)propan-2-yl acetate, 1-phenylmethoxypropan-2-yl acetate, KST-1B0410
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 13987-03-6 |
|---|---|
| SMILES | CC(COCC1=CC=CC=C1)OC(=O)C |
| InChIKey | GQUKDKQTBYGADS-UHFFFAOYSA-N |
Product Overview
1-(Benzyloxy)propan-2-yl acetate (CAS 13987-03-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1-phenylmethoxypropan-2-yl acetate.
Chemical Property Profile of 1-(Benzyloxy)propan-2-yl acetate
Property Insights of 1-(Benzyloxy)propan-2-yl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzyloxy)propan-2-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(Benzyloxy)propan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)propan-2-yl acetate 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 1-(Benzyloxy)propan-2-yl acetate?
The CAS number of 1-(Benzyloxy)propan-2-yl acetate is 13987-03-6.
What is the molecular formula of 1-(Benzyloxy)propan-2-yl acetate?
The molecular formula of 1-(Benzyloxy)propan-2-yl acetate is C12H16O3.
What is the molecular weight of 1-(Benzyloxy)propan-2-yl acetate?
The molecular weight of 1-(Benzyloxy)propan-2-yl acetate is 208.11 g/mol.
Where can I buy 1-(Benzyloxy)propan-2-yl acetate?
You can request a quote for 1-(Benzyloxy)propan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)propan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)propan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.