2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺
TL;DR: 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 (CAS 73987-06-1) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺
2-(4-chlorophenyl)-5-ethyl-1,3-dioxan-5-amine
Also Known As: starbld0011810, 2-(4-chlorophenyl)-5-ethyl-1,3-dioxan-5-amine, m-DIOXAN-5-AMINE, 2-(p-CHLOROPHENYL)-5-ETHYL-, 5-Amino-5-ethyl-2-p-chlorophenyl-1,3-dioxane, 1,3-Dioxan-5-amine, 2-(4-chlorophenyl)-5-ethyl-
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 73987-06-1 |
|---|---|
| SMILES | CCC1(COC(OC1)C2=CC=C(C=C2)Cl)N |
| InChIKey | KRENEBVXXOIAOY-UHFFFAOYSA-N |
Product Overview
2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 (CAS 73987-06-1), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 2-(4-chlorophenyl)-5-ethyl-1,3-dioxan-5-amine.
Chemical Property Profile of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺
Property Insights of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺. With a topological polar surface area (TPSA) of 44.5 Ų, 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-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 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺?
The CAS number of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 is 73987-06-1.
What is the molecular formula of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺?
The molecular formula of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 is C12H16ClNO2.
What is the molecular weight of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺?
The molecular weight of 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 is 241.09 g/mol.
Where can I buy 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺?
You can request a quote for 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(对氯苯基)-5-乙基-1,3-二氧杂环己烷-5-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.