1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate
TL;DR: 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate (CAS 64050-70-0) is a chemical compound with molecular formula C9H18Br2ClO5P and molecular weight 429.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dibromo-2-chloro-3-[(2-methylpropan-2-yl)oxy]propyl] dimethyl phosphate
Also Known As: Fiberglass, Glass, Glass fibers, Glass, oxide, Glass Wool washed
| Molecular Formula | C9H18Br2ClO5P |
|---|---|
| Molecular Weight | 429.89 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.89267 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64050-70-0 |
|---|---|
| SMILES | CC(C)(C)OCC(C(OP(=O)(OC)OC)Br)(Cl)Br |
| InChIKey | DEDSYEQZXYHPOQ-UHFFFAOYSA-N |
Product Overview
1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate (CAS 64050-70-0), with molecular formula C9H18Br2ClO5P and molecular weight 429.89 g/mol. IUPAC: [1,2-dibromo-2-chloro-3-[(2-methylpropan-2-yl)oxy]propyl] dimethyl phosphate.
Chemical Property Profile of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate
Property Insights of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate. With a topological polar surface area (TPSA) of 54.0 Ų, 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate 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 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate?
The CAS number of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate is 64050-70-0.
What is the molecular formula of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate?
The molecular formula of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate is C9H18Br2ClO5P.
What is the molecular weight of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate?
The molecular weight of 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate is 429.89 g/mol.
Where can I buy 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate?
You can request a quote for 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dibromo-3-tert-butoxy-2-chloropropyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.