Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
TL;DR: Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- (CAS 25837-05-2) is a chemical compound with molecular formula C8H10 and molecular weight 116.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
Also Known As: Ethylbenzene-d10, (2H10)Ethylbenzene, Decadeuteroethylbenzene, Benzene-d5, ethyl-d5-, Ethylbenzene-[d10]
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 116.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.141014 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 25837-05-2 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H] |
| InChIKey | YNQLUTRBYVCPMQ-CFTAVCBPSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- (CAS 25837-05-2), with molecular formula C8H10 and molecular weight 116.14 g/mol. IUPAC: 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene.
Chemical Property Profile of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
Property Insights of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
The XLogP value of 3.1 indicates that Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- has 0 hydrogen bond donor(s) and 0 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 Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-?
The CAS number of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- is 25837-05-2.
What is the molecular formula of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-?
The molecular formula of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- is C8H10.
What is the molecular weight of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-?
The molecular weight of Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- is 116.14 g/mol.
Where can I buy Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-?
You can request a quote for Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.