Nitrous acid, 2-phenylethyl-2,2-d2 ester
TL;DR: Nitrous acid, 2-phenylethyl-2,2-d2 ester (CAS 67428-03-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dideuterio-2-phenylethyl) nitrite
Also Known As: Nitrous acid, 2-phenylethyl-2,2-d2 ester, (2,2-dideuterio-2-phenylethyl) nitrite, Nitrous acid 2-phenylethyl-2,2-d2 ester, 2-Phenyl(2,2-~2~H_2_)ethyl nitrite
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.07588 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 67428-03-9 |
|---|---|
| SMILES | [2H]C([2H])(CON=O)C1=CC=CC=C1 |
| InChIKey | UYFFAINCSURFJZ-NCYHJHSESA-N |
Product Overview
Nitrous acid, 2-phenylethyl-2,2-d2 ester (CAS 67428-03-9), with molecular formula C8H9NO2 and molecular weight 153.08 g/mol. IUPAC: (2,2-dideuterio-2-phenylethyl) nitrite.
Chemical Property Profile of Nitrous acid, 2-phenylethyl-2,2-d2 ester
Property Insights of Nitrous acid, 2-phenylethyl-2,2-d2 ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrous acid, 2-phenylethyl-2,2-d2 ester. With a topological polar surface area (TPSA) of 38.7 Ų, Nitrous acid, 2-phenylethyl-2,2-d2 ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrous acid, 2-phenylethyl-2,2-d2 ester has 0 hydrogen bond donor(s) and 3 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 Nitrous acid, 2-phenylethyl-2,2-d2 ester?
The CAS number of Nitrous acid, 2-phenylethyl-2,2-d2 ester is 67428-03-9.
What is the molecular formula of Nitrous acid, 2-phenylethyl-2,2-d2 ester?
The molecular formula of Nitrous acid, 2-phenylethyl-2,2-d2 ester is C8H9NO2.
What is the molecular weight of Nitrous acid, 2-phenylethyl-2,2-d2 ester?
The molecular weight of Nitrous acid, 2-phenylethyl-2,2-d2 ester is 153.08 g/mol.
Where can I buy Nitrous acid, 2-phenylethyl-2,2-d2 ester?
You can request a quote for Nitrous acid, 2-phenylethyl-2,2-d2 ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrous acid, 2-phenylethyl-2,2-d2 ester?
Yes, KEHONG BIO provides custom synthesis services for Nitrous acid, 2-phenylethyl-2,2-d2 ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.