1,4-Dimethyl (2S)-2-methoxybutanedioate
TL;DR: 1,4-Dimethyl (2S)-2-methoxybutanedioate (CAS 27871-50-7) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S)-2-methoxybutanedioate
Also Known As: Dimethyl (S)-2-methoxysuccinate, (S)-Dimethyl 2-methoxysuccinate, dimethyl (2S)-2-methoxybutanedioate, 1,4-Dimethyl (2S)-2-methoxybutanedioate, (S)-2-Methoxysuccinic acid dimethyl ester
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 27871-50-7 |
|---|---|
| SMILES | CO[C@@H](CC(=O)OC)C(=O)OC |
| InChIKey | CZGCYHISZCRQFR-YFKPBYRVSA-N |
Product Overview
1,4-Dimethyl (2S)-2-methoxybutanedioate (CAS 27871-50-7), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: dimethyl (2S)-2-methoxybutanedioate.
Chemical Property Profile of 1,4-Dimethyl (2S)-2-methoxybutanedioate
Property Insights of 1,4-Dimethyl (2S)-2-methoxybutanedioate
The XLogP value of -0.1 indicates that 1,4-Dimethyl (2S)-2-methoxybutanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl (2S)-2-methoxybutanedioate. Following Lipinski's Rule of Five, 1,4-Dimethyl (2S)-2-methoxybutanedioate has 0 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 1,4-Dimethyl (2S)-2-methoxybutanedioate?
The CAS number of 1,4-Dimethyl (2S)-2-methoxybutanedioate is 27871-50-7.
What is the molecular formula of 1,4-Dimethyl (2S)-2-methoxybutanedioate?
The molecular formula of 1,4-Dimethyl (2S)-2-methoxybutanedioate is C7H12O5.
What is the molecular weight of 1,4-Dimethyl (2S)-2-methoxybutanedioate?
The molecular weight of 1,4-Dimethyl (2S)-2-methoxybutanedioate is 176.07 g/mol.
Where can I buy 1,4-Dimethyl (2S)-2-methoxybutanedioate?
You can request a quote for 1,4-Dimethyl (2S)-2-methoxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl (2S)-2-methoxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl (2S)-2-methoxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.