RefChem:1054665
TL;DR: RefChem:1054665 (CAS 73816-80-5) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-benzoyloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride
Also Known As: trans-1-Dimethylamino-1,2,3,4-tetrahydro-2-naphthol benzoate hydrochloride, 2-NAPHTHOL, 1,2,3,4-TETRAHYDRO-1-DIMETHYLAMINO-, BENZOATE, HYDROCHLORIDE, (E)-, [(2S)-2-benzoyloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride, 1-(Dimethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl benzoate--hydrogen chloride (1/1), 2-Naphthalenol, 1-(dimethylamino)-1,2,3,4-tetrahydro-, benzoate (ester), hydrochloride, trans-
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 73816-80-5 |
|---|---|
| SMILES | C[NH+](C)C1[C@H](CCC2=CC=CC=C12)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | HPIUUGOSAPZIEG-OQICONIUSA-N |
Product Overview
RefChem:1054665 (CAS 73816-80-5), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: [(2S)-2-benzoyloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1054665
Property Insights of RefChem:1054665
The XLogP value of -0.95 indicates that RefChem:1054665 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1054665 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054665 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 RefChem:1054665?
The CAS number of RefChem:1054665 is 73816-80-5.
What is the molecular formula of RefChem:1054665?
The molecular formula of RefChem:1054665 is C19H22ClNO2.
What is the molecular weight of RefChem:1054665?
The molecular weight of RefChem:1054665 is 331.13 g/mol.
Where can I buy RefChem:1054665?
You can request a quote for RefChem:1054665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054665?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.