Di-p-methylbenzylidenesorbitol
TL;DR: Di-p-methylbenzylidenesorbitol (CAS 197809-37-3) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
Also Known As: Di-p-methylbenzylidenesorbitol, none, Piroctone, Gel All MD, IRGACLEAR DM
| Molecular Formula | C22H26O6 |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 2.55344 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.17294 |
| Heavy Atoms | 28 |
| Complexity | 772.6189 |
Chemical Identifiers
| CAS Number | 197809-37-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC=C(C=C4)C)[C@@H](CO)O |
Product Overview
Di-p-methylbenzylidenesorbitol (CAS 197809-37-3), with molecular formula C22H26O6 and molecular weight 386.17 g/mol. IUPAC: (1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol.
Chemical Property Profile of Di-p-methylbenzylidenesorbitol
Property Insights of Di-p-methylbenzylidenesorbitol
The XLogP value of 2.55344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-p-methylbenzylidenesorbitol. The TPSA of 77.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-p-methylbenzylidenesorbitol. Following Lipinski's Rule of Five, Di-p-methylbenzylidenesorbitol has 2 hydrogen bond donor(s) and 6 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 Di-p-methylbenzylidenesorbitol?
The CAS number of Di-p-methylbenzylidenesorbitol is 197809-37-3.
What is the molecular formula of Di-p-methylbenzylidenesorbitol?
The molecular formula of Di-p-methylbenzylidenesorbitol is C22H26O6.
What is the molecular weight of Di-p-methylbenzylidenesorbitol?
The molecular weight of Di-p-methylbenzylidenesorbitol is 386.17 g/mol.
Where can I buy Di-p-methylbenzylidenesorbitol?
You can request a quote for Di-p-methylbenzylidenesorbitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-p-methylbenzylidenesorbitol?
Yes, KEHONG BIO provides custom synthesis services for Di-p-methylbenzylidenesorbitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.