Aniline-d5
TL;DR: Aniline-d5 (CAS 4165-61-1) is a chemical compound with molecular formula C6H7N and molecular weight 98.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentadeuterioaniline
Also Known As: Aniline-d5, Benzen-d5-amine, Phenyl-d5-amine, ANILINE D5, Benzenamine
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 98.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.08923 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 4165-61-1 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])N)[2H])[2H] |
| InChIKey | PAYRUJLWNCNPSJ-RALIUCGRSA-N |
Product Overview
Aniline-d5 (CAS 4165-61-1), with molecular formula C6H7N and molecular weight 98.09 g/mol. IUPAC: 2,3,4,5,6-pentadeuterioaniline.
Chemical Property Profile of Aniline-d5
Property Insights of Aniline-d5
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline-d5. With a topological polar surface area (TPSA) of 26.0 Ų, Aniline-d5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline-d5 has 1 hydrogen bond donor(s) and 1 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 Aniline-d5?
The CAS number of Aniline-d5 is 4165-61-1.
What is the molecular formula of Aniline-d5?
The molecular formula of Aniline-d5 is C6H7N.
What is the molecular weight of Aniline-d5?
The molecular weight of Aniline-d5 is 98.09 g/mol.
Where can I buy Aniline-d5?
You can request a quote for Aniline-d5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline-d5?
Yes, KEHONG BIO provides custom synthesis services for Aniline-d5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.