BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE
TL;DR: BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE (CAS 63991-22-0) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[1-acetyloxy-2-(methylamino)ethyl]phenyl] acetate
Also Known As: O-Diacetylphenylephrine, 3-(Acetyloxy)-alpha-[(methylamino)methyl]benzyl=acetate, 3-13-00-02237 (Beilstein Handbook Reference), [3-[1-acetyloxy-2-(methylamino)ethyl]phenyl] acetate, BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 63991-22-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(CNC)OC(=O)C |
| InChIKey | SKRGPEBZTXSTCT-UHFFFAOYSA-N |
Product Overview
BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE (CAS 63991-22-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: [3-[1-acetyloxy-2-(methylamino)ethyl]phenyl] acetate.
Chemical Property Profile of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE
Property Insights of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE. Following Lipinski's Rule of Five, BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE has 1 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 BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE?
The CAS number of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE is 63991-22-0.
What is the molecular formula of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE?
The molecular formula of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE is C13H17NO4.
What is the molecular weight of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE?
The molecular weight of BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE is 251.12 g/mol.
Where can I buy BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE?
You can request a quote for BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE?
Yes, KEHONG BIO provides custom synthesis services for BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, DIACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.