1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane
TL;DR: 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane (CAS 94509-61-2) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane
Also Known As: Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane, 1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane, (C9-H6-N2-O2.C3-H6-O.C2-H4-O)x-, 1,3-diisocyanato-2-methyl-benzene; 2-methyloxirane; oxirane, Oxirane, 1,3-diisocyanatomethylbenzene, methyloxirane polymer
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 2.35132 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 94509-61-2 |
|---|---|
| SMILES | CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1 |
| InChIKey | LWKPLEHMZWXLOJ-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane (CAS 94509-61-2), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane
Property Insights of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane
The XLogP value of 2.35132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane. Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane 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;2-methyloxirane;oxirane?
The CAS number of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane is 94509-61-2.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane is C14H16N2O4.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane is 276.11 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane 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-methyloxirane;oxirane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.