![7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid structure](/static/products/1058/105846-98-8.webp)
7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
TL;DR: 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid (CAS 105846-98-8) is a chemical compound with molecular formula C19H26O5 and molecular weight 334.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
Also Known As: (Z)-7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
| Molecular Formula | C19H26O5 |
|---|---|
| Molecular Weight | 334.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.178 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 105846-98-8 |
|---|---|
| SMILES | CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2O)CC=CCCCC(=O)O)C |
| InChIKey | VTLAMBSAMRROPW-KBXCAEBGSA-N |
Product Overview
7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid (CAS 105846-98-8), with molecular formula C19H26O5 and molecular weight 334.18 g/mol. IUPAC: 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid.
Chemical Property Profile of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
Property Insights of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid. Following Lipinski's Rule of Five, 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid has 2 hydrogen bond donor(s) and 5 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 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The CAS number of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid is 105846-98-8.
What is the molecular formula of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The molecular formula of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid is C19H26O5.
What is the molecular weight of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The molecular weight of 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid is 334.18 g/mol.
Where can I buy 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid?
You can request a quote for 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.