dimethyl (2S,3R)-2,3-dibromobutanedioate
TL;DR: dimethyl (2S,3R)-2,3-dibromobutanedioate (CAS 51575-86-1) is a chemical compound with molecular formula C6H8Br2O4 and molecular weight 301.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S,3R)-2,3-dibromobutanedioate
Also Known As: dimethyl (2S,3R)-2,3-dibromobutanedioate, TL 127, dimethyl(2r,3s)-2,3-dibromobutanedioate, meso dimethyl alpha,beta-dibromosuccinate, (2R,3S)-2,3-Dibromosuccinic acid dimethyl ester
| Molecular Formula | C6H8Br2O4 |
|---|---|
| Molecular Weight | 301.88 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.87894 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 51575-86-1 |
|---|---|
| SMILES | COC(=O)[C@@H]([C@@H](C(=O)OC)Br)Br |
| InChIKey | XQBOXCHKENCESQ-ZXZARUISSA-N |
Product Overview
dimethyl (2S,3R)-2,3-dibromobutanedioate (CAS 51575-86-1), with molecular formula C6H8Br2O4 and molecular weight 301.88 g/mol. IUPAC: dimethyl (2S,3R)-2,3-dibromobutanedioate.
Chemical Property Profile of dimethyl (2S,3R)-2,3-dibromobutanedioate
Property Insights of dimethyl (2S,3R)-2,3-dibromobutanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (2S,3R)-2,3-dibromobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (2S,3R)-2,3-dibromobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (2S,3R)-2,3-dibromobutanedioate 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
Frequently Asked Questions
What is the CAS number of dimethyl (2S,3R)-2,3-dibromobutanedioate?
The CAS number of dimethyl (2S,3R)-2,3-dibromobutanedioate is 51575-86-1.
What is the molecular formula of dimethyl (2S,3R)-2,3-dibromobutanedioate?
The molecular formula of dimethyl (2S,3R)-2,3-dibromobutanedioate is C6H8Br2O4.
What is the molecular weight of dimethyl (2S,3R)-2,3-dibromobutanedioate?
The molecular weight of dimethyl (2S,3R)-2,3-dibromobutanedioate is 301.88 g/mol.
Where can I buy dimethyl (2S,3R)-2,3-dibromobutanedioate?
You can request a quote for dimethyl (2S,3R)-2,3-dibromobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (2S,3R)-2,3-dibromobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2S,3R)-2,3-dibromobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.