1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)
TL;DR: 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) (CAS 26471-62-5) is a chemical compound with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene
Also Known As: TOLUENE DIISOCYANATE, Tolylene diisocyanate, 1,3-Diisocyanatomethylbenzene, Benzene, 1,3-diisocyanatomethyl-, 2,4-tolylene diisocyanate 2,6-tolylene diisocyanate
| Molecular Formula | C18H12N4O4 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.08585 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 26471-62-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O |
| InChIKey | LNKSOGFDOODVSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) (CAS 26471-62-5), with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)
Property Insights of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)
The XLogP value of 3.86 indicates that 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1). Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) has 0 hydrogen bond donor(s) and 8 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 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)?
The CAS number of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) is 26471-62-5.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) is C18H12N4O4.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) is 348.09 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.