1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-
TL;DR: 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- (CAS 176590-77-5) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
Also Known As: 2-Acetyl-1,3-indanedione, (2S,3S)-2,3-Dihydroxybutane-1,4-diyl dibenzoate, 4-(Benzoyloxy)-2,3-dihydroxybutyl benzoate, (2R,3R)-2,3-Dihydroxybutane-1,4-diyl dibenzoate, (4-benzoyloxy-2,3-dihydroxybutyl) benzoate
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 176590-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C(COC(=O)C2=CC=CC=C2)O)O |
| InChIKey | DJOUKNAKSJTIKP-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- (CAS 176590-77-5), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: (4-benzoyloxy-2,3-dihydroxybutyl) benzoate.
Chemical Property Profile of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-
Property Insights of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-. Following Lipinski's Rule of Five, 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- 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 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-?
The CAS number of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- is 176590-77-5.
What is the molecular formula of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-?
The molecular formula of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- is C18H18O6.
What is the molecular weight of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-?
The molecular weight of 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- is 330.11 g/mol.
Where can I buy 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-?
You can request a quote for 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Butanetetrol, 1,4-dibenzoate, (R*,R*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.