Rotigotine Impurity 35
TL;DR: Rotigotine Impurity 35 (CAS 111955-48-7) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2,3-dibenzoyloxybutanedioic acid
Also Known As: Rotigotine Impurity 35, L-Dibenzoyltartaric acid, (2R,3S)-2,3-dibenzoyloxybutanedioic acid, (2R,3S)-2,3-bis(benzoyloxy)succinic acid
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 1.6068 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 730.9555 |
Chemical Identifiers
| CAS Number | 111955-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)O[C@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O |
Product Overview
Rotigotine Impurity 35 (CAS 111955-48-7), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: (2R,3S)-2,3-dibenzoyloxybutanedioic acid.
Chemical Property Profile of Rotigotine Impurity 35
Property Insights of Rotigotine Impurity 35
The XLogP value of 1.6068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rotigotine Impurity 35. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Rotigotine Impurity 35. Following Lipinski's Rule of Five, Rotigotine Impurity 35 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 Rotigotine Impurity 35?
The CAS number of Rotigotine Impurity 35 is 111955-48-7.
What is the molecular formula of Rotigotine Impurity 35?
The molecular formula of Rotigotine Impurity 35 is C18H14O8.
What is the molecular weight of Rotigotine Impurity 35?
The molecular weight of Rotigotine Impurity 35 is 358.07 g/mol.
Where can I buy Rotigotine Impurity 35?
You can request a quote for Rotigotine Impurity 35 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotigotine Impurity 35?
Yes, KEHONG BIO provides custom synthesis services for Rotigotine Impurity 35 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.