Bayer WH 4849
TL;DR: Bayer WH 4849 (CAS 60452-19-9) is a chemical compound with molecular formula C16H26ClNO3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl-dimethylazanium chloride
Also Known As: Bayer WH 4849, Bayer 1433, BAY 1433, WH 4849, 2-Hydroxy-3-methyl-2-phenylbutyric acid, 3-(dimethylamino)propyl ester hydrochloride
| Molecular Formula | C16H26ClNO3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | -2.39 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.16013 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 60452-19-9 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCCC[NH+](C)C)O.[Cl-] |
| InChIKey | XXUMSZSOCZWEAS-UHFFFAOYSA-N |
Product Overview
Bayer WH 4849 (CAS 60452-19-9), with molecular formula C16H26ClNO3 and molecular weight 315.16 g/mol. IUPAC: 3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl-dimethylazanium chloride.
Chemical Property Profile of Bayer WH 4849
Property Insights of Bayer WH 4849
The XLogP value of -2.39 indicates that Bayer WH 4849 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, Bayer WH 4849 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bayer WH 4849 has 2 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 Bayer WH 4849?
The CAS number of Bayer WH 4849 is 60452-19-9.
What is the molecular formula of Bayer WH 4849?
The molecular formula of Bayer WH 4849 is C16H26ClNO3.
What is the molecular weight of Bayer WH 4849?
The molecular weight of Bayer WH 4849 is 315.16 g/mol.
Where can I buy Bayer WH 4849?
You can request a quote for Bayer WH 4849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayer WH 4849?
Yes, KEHONG BIO provides custom synthesis services for Bayer WH 4849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.