2,3-Dibromopropyl chloroacetate
TL;DR: 2,3-Dibromopropyl chloroacetate (CAS 6961-69-9) 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.
2,3-dibromopropyl 2-chloroacetate
Also Known As: 2,3-Dibromopropyl chloroacetate, starbld0031546, 2,3-dibromopropyl 2-chloroacetate, Chloroaceticacid2,3-dibromopropylester, Chloroacetic acid 2,3-dibromopropyl ester
| Molecular Formula | C5H7Br2ClO2 |
|---|---|
| Molecular Weight | 291.85 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.85013 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 6961-69-9 |
|---|---|
| SMILES | C(C(CBr)Br)OC(=O)CCl |
| InChIKey | NAXYSIZEOBNAHI-UHFFFAOYSA-N |
Product Overview
2,3-Dibromopropyl chloroacetate (CAS 6961-69-9), with molecular formula C5H7Br2ClO2 and molecular weight 291.85 g/mol. IUPAC: 2,3-dibromopropyl 2-chloroacetate.
Chemical Property Profile of 2,3-Dibromopropyl chloroacetate
Property Insights of 2,3-Dibromopropyl chloroacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromopropyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dibromopropyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropyl chloroacetate 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 2,3-Dibromopropyl chloroacetate?
The CAS number of 2,3-Dibromopropyl chloroacetate is 6961-69-9.
What is the molecular formula of 2,3-Dibromopropyl chloroacetate?
The molecular formula of 2,3-Dibromopropyl chloroacetate is C5H7Br2ClO2.
What is the molecular weight of 2,3-Dibromopropyl chloroacetate?
The molecular weight of 2,3-Dibromopropyl chloroacetate is 291.85 g/mol.
Where can I buy 2,3-Dibromopropyl chloroacetate?
You can request a quote for 2,3-Dibromopropyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.