1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)
TL;DR: 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) (CAS 67712-19-0) is a chemical compound with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;isocyanatobenzene
Also Known As: (C9-H6-N2-O2.C7-H5-N-O)x-, Benzene, 1,3-diisocyanatomethyl-, polymer with isocyanatobenzene, 1,3-diisocyanato-2-methylbenzene; isocyanatobenzene, 1,3-diisocyanato-2-methyl-benzene; isocyanatobenzene, 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)
| Molecular Formula | C16H11N3O3 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 3.58352 |
| Topological Polar Surface Area | 88.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.08005 |
| Heavy Atoms | 22 |
| Complexity | 732.22797 |
Chemical Identifiers
| CAS Number | 67712-19-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C=C1)N=C=O |
Product Overview
1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) (CAS 67712-19-0), with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;isocyanatobenzene.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)
Property Insights of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)
The XLogP value of 3.58352 indicates that 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1). Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) has 0 hydrogen bond donor(s) and 6 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--isocyanatobenzene (1/1)?
The CAS number of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) is 67712-19-0.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) is C16H11N3O3.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) is 293.08 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1)?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (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--isocyanatobenzene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene--isocyanatobenzene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.