2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine
TL;DR: 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine (CAS 6277-07-2) is a chemical compound with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[1-chloro-2-(propan-2-ylamino)ethyl]phenyl] acetate
Also Known As: 2-Dpcie, 2-2-chloro-n-isopropyl-1-ethanamine, 2- -2-chloro-N-isopropyl-1-ethanamine, 2-(3,4-Diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine, 4-[1-chloro-2-(propan-2-ylamino)ethyl]benzene-1,2-diyl diacetate
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.1081 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 6277-07-2 |
|---|---|
| SMILES | CC(C)NCC(C1=CC(=C(C=C1)OC(=O)C)OC(=O)C)Cl |
| InChIKey | IQRFQWIEOWDZQU-UHFFFAOYSA-N |
Product Overview
2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine (CAS 6277-07-2), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: [2-acetyloxy-4-[1-chloro-2-(propan-2-ylamino)ethyl]phenyl] acetate.
Chemical Property Profile of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine
Property Insights of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine. Following Lipinski's Rule of Five, 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine 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 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine?
The CAS number of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine is 6277-07-2.
What is the molecular formula of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine?
The molecular formula of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine is C15H20ClNO4.
What is the molecular weight of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine?
The molecular weight of 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine is 313.11 g/mol.
Where can I buy 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine?
You can request a quote for 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-diacetoxyphenyl)-2-chloro-N-isopropyl-1-ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.