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[2H9]-叔丁基氯
TL;DR: [2H9]-叔丁基氯 (CAS 918-20-7) is a chemical compound with molecular formula C4H9Cl and molecular weight 101.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2H9]-叔丁基氯
2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
Also Known As: 2-Chloro-2-methylpropane-d9, (2H9)-tert-Butyl chloride, tert-Butyl-d9 chloride, T-BUTYL CHLORIDE, C4ClD9
| Molecular Formula | C4H9Cl |
|---|---|
| Molecular Weight | 101.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.09577 |
| Heavy Atoms | 5 |
| Complexity | 25.0 |
Chemical Identifiers
| CAS Number | 918-20-7 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Cl |
| InChIKey | NBRKLOOSMBRFMH-GQALSZNTSA-N |
Product Overview
[2H9]-叔丁基氯 (CAS 918-20-7), with molecular formula C4H9Cl and molecular weight 101.10 g/mol. IUPAC: 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane.
Chemical Property Profile of [2H9]-叔丁基氯
Property Insights of [2H9]-叔丁基氯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2H9]-叔丁基氯. With a topological polar surface area (TPSA) of 0.0 Ų, [2H9]-叔丁基氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2H9]-叔丁基氯 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 [2H9]-叔丁基氯?
The CAS number of [2H9]-叔丁基氯 is 918-20-7.
What is the molecular formula of [2H9]-叔丁基氯?
The molecular formula of [2H9]-叔丁基氯 is C4H9Cl.
What is the molecular weight of [2H9]-叔丁基氯?
The molecular weight of [2H9]-叔丁基氯 is 101.10 g/mol.
Where can I buy [2H9]-叔丁基氯?
You can request a quote for [2H9]-叔丁基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2H9]-叔丁基氯?
Yes, KEHONG BIO provides custom synthesis services for [2H9]-叔丁基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.