Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate
TL;DR: Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate (CAS 63867-12-9) is a chemical compound with molecular formula C13H16Br2NO8P and molecular weight 502.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxybutanoate
Also Known As: Shell SD-7393, SD 7393, ENT 25,744, (4-Nitrophenyl)methyl 2,3-dibromo-3-((dimethoxyphosphinyl)oxy)butanoate, (4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxybutanoate
| Molecular Formula | C13H16Br2NO8P |
|---|---|
| Molecular Weight | 502.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.89597 |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 63867-12-9 |
|---|---|
| SMILES | CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br)(OP(=O)(OC)OC)Br |
| InChIKey | UNVIJENIJIKLCV-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate (CAS 63867-12-9), with molecular formula C13H16Br2NO8P and molecular weight 502.90 g/mol. IUPAC: (4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxybutanoate.
Chemical Property Profile of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate
Property Insights of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate. Following Lipinski's Rule of Five, Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate?
The CAS number of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate is 63867-12-9.
What is the molecular formula of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate?
The molecular formula of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate is C13H16Br2NO8P.
What is the molecular weight of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate?
The molecular weight of Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate is 502.90 g/mol.
Where can I buy Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate?
You can request a quote for Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.