Di-tert-butyl tartrate
TL;DR: Di-tert-butyl tartrate (CAS 117384-45-9) is a chemical compound with molecular formula C12H22O6 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2,3-dihydroxybutanedioate
Also Known As: di-tert-butyl tartrate, (+)-Di-tert-butyl L-tartrate, (-)-Di-tert-butyl D-tartrate, di-tert.-butyl tartrate, 6-PHENYL-2-HEXYNE
| Molecular Formula | C12H22O6 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.14163 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 117384-45-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C(C(=O)OC(C)(C)C)O)O |
| InChIKey | ITWOKJQQGHCDBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl tartrate (CAS 117384-45-9), with molecular formula C12H22O6 and molecular weight 262.14 g/mol. IUPAC: ditert-butyl 2,3-dihydroxybutanedioate.
Chemical Property Profile of Di-tert-butyl tartrate
Property Insights of Di-tert-butyl tartrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl tartrate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl tartrate. Following Lipinski's Rule of Five, Di-tert-butyl tartrate 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-tert-butyl tartrate?
The CAS number of Di-tert-butyl tartrate is 117384-45-9.
What is the molecular formula of Di-tert-butyl tartrate?
The molecular formula of Di-tert-butyl tartrate is C12H22O6.
What is the molecular weight of Di-tert-butyl tartrate?
The molecular weight of Di-tert-butyl tartrate is 262.14 g/mol.
Where can I buy Di-tert-butyl tartrate?
You can request a quote for Di-tert-butyl tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl tartrate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.