D 048
TL;DR: D 048 (CAS 5345-36-8) is a chemical compound with molecular formula C18H26O4S and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite
Also Known As: D-048, 4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite, D 048, 1-(2-Butynyl)-1-(p-tert-butylphenoxy)-2-butyl sulfite
| Molecular Formula | C18H26O4S |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.15518 |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 5345-36-8 |
|---|---|
| SMILES | CCC(C(CC#CC)OC1=CC=C(C=C1)C(C)(C)C)OS(=O)O |
| InChIKey | JGHWYUPYMGVCPJ-UHFFFAOYSA-N |
Product Overview
D 048 (CAS 5345-36-8), with molecular formula C18H26O4S and molecular weight 338.16 g/mol. IUPAC: 4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite.
Chemical Property Profile of D 048
Property Insights of D 048
The XLogP value of 5.3 indicates that D 048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D 048. Following Lipinski's Rule of Five, D 048 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D 048?
The CAS number of D 048 is 5345-36-8.
What is the molecular formula of D 048?
The molecular formula of D 048 is C18H26O4S.
What is the molecular weight of D 048?
The molecular weight of D 048 is 338.16 g/mol.
Where can I buy D 048?
You can request a quote for D 048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 048?
Yes, KEHONG BIO provides custom synthesis services for D 048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.