3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
TL;DR: 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) (CAS 71783-91-0) is a chemical compound with molecular formula C17H25Cl2NO3 and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride
Also Known As: Acetic acid, (4-chlorophenoxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride, (4-Chlorophenoxy)acetic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, 3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride, 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1), RefChem:1066983
| Molecular Formula | C17H25Cl2NO3 |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | -0.88 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.12115 |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 71783-91-0 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CCCOC(=O)COC2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | GBXJLSDHKAAWIU-UHFFFAOYSA-N |
Product Overview
3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) (CAS 71783-91-0), with molecular formula C17H25Cl2NO3 and molecular weight 361.12 g/mol. IUPAC: 3-(azepan-1-ium-1-yl)propyl 2-(4-chlorophenoxy)acetate chloride.
Chemical Property Profile of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
Property Insights of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
The XLogP value of -0.88 indicates that 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 4 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 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)?
The CAS number of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is 71783-91-0.
What is the molecular formula of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)?
The molecular formula of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is C17H25Cl2NO3.
What is the molecular weight of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)?
The molecular weight of 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) is 361.12 g/mol.
Where can I buy 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)?
You can request a quote for 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-yl)propyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.