苄基-2-乙酰氧基乙基-2'-氯乙胺
TL;DR: 苄基-2-乙酰氧基乙基-2'-氯乙胺 (CAS 88760-87-6) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基-2-乙酰氧基乙基-2'-氯乙胺
2-[(3-chloro-1-phenylpropyl)amino]ethyl acetate
Also Known As: Bzacea, 2-[(3-chloro-1-phenylpropyl)amino]ethyl acetate, Benzyl-2-acetoxyethyl-2'-chloroethylamine, 2-(benzyl(2-chloroethyl)amino)ethyl acetate, ethanol, 2-((2-chloroethyl)phenylmethyl)amino-, acetate(ester)
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 88760-87-6 |
|---|---|
| SMILES | CC(=O)OCCNC(CCCl)C1=CC=CC=C1 |
| InChIKey | BKZNNFSNLTYJDQ-UHFFFAOYSA-N |
Product Overview
苄基-2-乙酰氧基乙基-2'-氯乙胺 (CAS 88760-87-6), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: 2-[(3-chloro-1-phenylpropyl)amino]ethyl acetate.
Chemical Property Profile of 苄基-2-乙酰氧基乙基-2'-氯乙胺
Property Insights of 苄基-2-乙酰氧基乙基-2'-氯乙胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基-2-乙酰氧基乙基-2'-氯乙胺. With a topological polar surface area (TPSA) of 38.3 Ų, 苄基-2-乙酰氧基乙基-2'-氯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基-2-乙酰氧基乙基-2'-氯乙胺 has 1 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 苄基-2-乙酰氧基乙基-2'-氯乙胺?
The CAS number of 苄基-2-乙酰氧基乙基-2'-氯乙胺 is 88760-87-6.
What is the molecular formula of 苄基-2-乙酰氧基乙基-2'-氯乙胺?
The molecular formula of 苄基-2-乙酰氧基乙基-2'-氯乙胺 is C13H18ClNO2.
What is the molecular weight of 苄基-2-乙酰氧基乙基-2'-氯乙胺?
The molecular weight of 苄基-2-乙酰氧基乙基-2'-氯乙胺 is 255.10 g/mol.
Where can I buy 苄基-2-乙酰氧基乙基-2'-氯乙胺?
You can request a quote for 苄基-2-乙酰氧基乙基-2'-氯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基-2-乙酰氧基乙基-2'-氯乙胺?
Yes, KEHONG BIO provides custom synthesis services for 苄基-2-乙酰氧基乙基-2'-氯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.