Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate
TL;DR: Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate (CAS 104616-76-4) is a chemical compound with molecular formula C5H7Br2ClO2 and molecular weight 291.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dibromo-2-chlorobutanoate
Also Known As: Methyl 2,3-dibromo-2-chlorobutanoate, methyl 2-chloro-2,3-dibromobutanoate, Methyl 2,3-dibromo-2-chlorobutanoate #, Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate
| Molecular Formula | C5H7Br2ClO2 |
|---|---|
| Molecular Weight | 291.85 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.85013 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 104616-76-4 |
|---|---|
| SMILES | CC(C(C(=O)OC)(Cl)Br)Br |
| InChIKey | OSJUFOXDYOCIIP-UHFFFAOYSA-N |
Product Overview
Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate (CAS 104616-76-4), with molecular formula C5H7Br2ClO2 and molecular weight 291.85 g/mol. IUPAC: methyl 2,3-dibromo-2-chlorobutanoate.
Chemical Property Profile of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate
Property Insights of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate has 0 hydrogen bond donor(s) and 2 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 Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate?
The CAS number of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate is 104616-76-4.
What is the molecular formula of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate?
The molecular formula of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate is C5H7Br2ClO2.
What is the molecular weight of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate?
The molecular weight of Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate is 291.85 g/mol.
Where can I buy Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate?
You can request a quote for Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2R,3S(2S,3R)-2-chloro-2,3-dibromobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.