RefChem:327776
TL;DR: RefChem:327776 (CAS 16809-75-9) is a chemical compound with molecular formula C21H27BrClNO3 and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] 2-bromobenzoate;hydrochloride
Also Known As: Benzoic acid, o-bromo-, 5-(2-(dimethylamino)ethoxy)carvacryl ester, hydrochloride, 5-(2-(Dimethylamino)ethoxy)carvacryl o-bromobenzoate hydrochloride, [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-bromobenzoate hydrochloride, 4-[2-(Dimethylamino)ethoxy]-2-methyl-5-(propan-2-yl)phenyl 2-bromobenzoate--hydrogen chloride (1/1), RefChem:327776
| Molecular Formula | C21H27BrClNO3 |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 5.46232 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08627 |
| Heavy Atoms | 27 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 16809-75-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2Br)C(C)C)OCCN(C)C.Cl |
| InChIKey | FJVLMDVFLAWLCX-UHFFFAOYSA-N |
Product Overview
RefChem:327776 (CAS 16809-75-9), with molecular formula C21H27BrClNO3 and molecular weight 455.09 g/mol. IUPAC: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] 2-bromobenzoate;hydrochloride.
Chemical Property Profile of RefChem:327776
Property Insights of RefChem:327776
The XLogP value of 5.46232 indicates that RefChem:327776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:327776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327776 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327776?
The CAS number of RefChem:327776 is 16809-75-9.
What is the molecular formula of RefChem:327776?
The molecular formula of RefChem:327776 is C21H27BrClNO3.
What is the molecular weight of RefChem:327776?
The molecular weight of RefChem:327776 is 455.09 g/mol.
Where can I buy RefChem:327776?
You can request a quote for RefChem:327776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.