Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
TL;DR: Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride (CAS 119584-96-2) is a chemical compound with molecular formula C27H30Cl3NO2 and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-yl)-2-naphthalen-2-ylbutyl] 2,4-dichlorobenzoate;hydrochloride
Also Known As: Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride, 4-(Azepan-1-yl)-2-(naphthalen-2-yl)butyl 2,4-dichlorobenzoate--hydrogen chloride (1/1), [4-(azepan-1-yl)-2-naphthalen-2-ylbutyl] 2,4-dichlorobenzoate hydrochloride, RefChem:1070035
| Molecular Formula | C27H30Cl3NO2 |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 7.7751 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.13422 |
| Heavy Atoms | 33 |
| Complexity | 1064.1708 |
Chemical Identifiers
| CAS Number | 119584-96-2 |
|---|---|
| SMILES | C1CCCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4C=C3.Cl |
Product Overview
Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride (CAS 119584-96-2), with molecular formula C27H30Cl3NO2 and molecular weight 505.13 g/mol. IUPAC: [4-(azepan-1-yl)-2-naphthalen-2-ylbutyl] 2,4-dichlorobenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
Property Insights of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
The XLogP value of 7.7751 indicates that Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride?
The CAS number of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride is 119584-96-2.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride is C27H30Cl3NO2.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride is 505.13 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.