4-(Methyl-d3)-1,3-benzenediamine
TL;DR: 4-(Methyl-d3)-1,3-benzenediamine (CAS 71111-08-5) is a chemical compound with molecular formula C7H10N2 and molecular weight 125.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trideuteriomethyl)benzene-1,3-diamine
Also Known As: 2,4-Diaminotoluene-d3, Fouramine J-d3, Eucanine GB-d3, Fourrine M-d3, Pelagol J-d3
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 125.10 g/mol |
| LogP | 1.15942 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.103226 |
| Heavy Atoms | 9 |
| Complexity | 293.19324 |
Chemical Identifiers
| CAS Number | 71111-08-5 |
|---|---|
| SMILES | [2H]C([2H])([2H])C1=C(C=C(C=C1)N)N |
Product Overview
4-(Methyl-d3)-1,3-benzenediamine (CAS 71111-08-5), with molecular formula C7H10N2 and molecular weight 125.10 g/mol. IUPAC: 4-(trideuteriomethyl)benzene-1,3-diamine.
Chemical Property Profile of 4-(Methyl-d3)-1,3-benzenediamine
Property Insights of 4-(Methyl-d3)-1,3-benzenediamine
The XLogP value of 1.15942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methyl-d3)-1,3-benzenediamine. With a topological polar surface area (TPSA) of 52.04 Ų, 4-(Methyl-d3)-1,3-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methyl-d3)-1,3-benzenediamine has 2 hydrogen bond donor(s) and 2 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 4-(Methyl-d3)-1,3-benzenediamine?
The CAS number of 4-(Methyl-d3)-1,3-benzenediamine is 71111-08-5.
What is the molecular formula of 4-(Methyl-d3)-1,3-benzenediamine?
The molecular formula of 4-(Methyl-d3)-1,3-benzenediamine is C7H10N2.
What is the molecular weight of 4-(Methyl-d3)-1,3-benzenediamine?
The molecular weight of 4-(Methyl-d3)-1,3-benzenediamine is 125.10 g/mol.
Where can I buy 4-(Methyl-d3)-1,3-benzenediamine?
You can request a quote for 4-(Methyl-d3)-1,3-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methyl-d3)-1,3-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methyl-d3)-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.