d-Yau-17
TL;DR: d-Yau-17 (CAS 39787-50-3) 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.
(1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dimethylazanium chloride
Also Known As: d-Yau-17, l-Yau-17, (1S-cis)-1,2,3,4-Tetrahydro-2-(dimethylamino)-1-naphthol benzoate hydrochloride, 1-Naphthol, 1,2,3,4-tetrahydro-2-(dimethylamino)-, benzoate (ester), hydrochloride, (1S-cis)-, (1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dimethylazaniumchloride
| 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 | 39787-50-3 |
|---|---|
| SMILES | C[NH+](C)C1CCC2=CC=CC=C2C1OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | FTVLIUAUWUINLT-UHFFFAOYSA-N |
Product Overview
d-Yau-17 (CAS 39787-50-3), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: (1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dimethylazanium chloride.
Chemical Property Profile of d-Yau-17
Property Insights of d-Yau-17
The XLogP value of -0.95 indicates that d-Yau-17 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, d-Yau-17 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, d-Yau-17 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 d-Yau-17?
The CAS number of d-Yau-17 is 39787-50-3.
What is the molecular formula of d-Yau-17?
The molecular formula of d-Yau-17 is C19H22ClNO2.
What is the molecular weight of d-Yau-17?
The molecular weight of d-Yau-17 is 331.13 g/mol.
Where can I buy d-Yau-17?
You can request a quote for d-Yau-17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for d-Yau-17?
Yes, KEHONG BIO provides custom synthesis services for d-Yau-17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.