Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-
TL;DR: Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- (CAS 1114-22-3) is a chemical compound with molecular formula C6H8Cl2O4 and molecular weight 213.97997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (2S,3R)-2,3-dichlorobutanedioate
Also Known As: Dimethyl 2,3-dichlorosuccinate, Dimethyl 2,3-dichlorosuccinate, meso-, dimethyl (2S,3R)-2,3-dichlorobutanedioate, Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-, (2R,3S)-2,3-Dichlorosuccinic acid dimethyl ester
Technical Specifications
| Molecular Formula | C6H8Cl2O4 |
| Molecular Weight | 213.97997 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.97997 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| SMILES | COC(=O)[C@@H]([C@@H](C(=O)OC)Cl)Cl |
| InChIKey | JBNBHRIGUASWJK-ZXZARUISSA-N |
Chemical Property Profile of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-
Property Insights of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-?
The CAS number of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- is 1114-22-3.
What is the molecular formula of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-?
The molecular formula of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- is C6H8Cl2O4.
What is the molecular weight of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-?
The molecular weight of Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- is 213.97997 g/mol.
Where can I buy Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-?
You can request a quote for Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel-?
Yes, CoreyChem provides custom synthesis services for Butanedioic acid, 2,3-dichloro-, 1,4-dimethyl ester, (2R,3S)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.