4-(Dimethylamino)-2,6-dimethylisophthalaldehyde
TL;DR: 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde (CAS 4980-20-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2,6-dimethylbenzene-1,3-dicarbaldehyde
Also Known As: 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde, 4-(dimethylamino)-2,6-dimethylbenzene-1,3-dicarbaldehyde, ISOPHTHALALDEHYDE, 4-(DIMETHYLAMINO)-2,6-DIMETHYL-, 2,4-Dimethyl-6-dimethylamino-benzol-1,3-dicarbaldehyd, 1,3-BENZENEDICARBOXALDEHYDE, 4-(DIMETHYLAMINO)-2,6-DIMETHYL-
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 4980-20-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C=O)C)C=O)N(C)C |
| InChIKey | HTBDTXOCVULGDA-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)-2,6-dimethylisophthalaldehyde (CAS 4980-20-5), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 4-(dimethylamino)-2,6-dimethylbenzene-1,3-dicarbaldehyde.
Chemical Property Profile of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde
Property Insights of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde. With a topological polar surface area (TPSA) of 37.4 Ų, 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde 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 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde?
The CAS number of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde is 4980-20-5.
What is the molecular formula of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde?
The molecular formula of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde is C12H15NO2.
What is the molecular weight of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde?
The molecular weight of 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde is 205.11 g/mol.
Where can I buy 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde?
You can request a quote for 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2,6-dimethylisophthalaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.