Methylidynetriphenylene triisocyanate
TL;DR: Methylidynetriphenylene triisocyanate (CAS 3107-18-4) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene
Also Known As: Triphenylmethane triisocyanate, Methylidynetriphenylene triisocyanate, 5,5',5''-methanetriyltris(5-isocyanatocyclohexa-1,3-diene), Benzene, 1,1',1''-methylidynetris(isocyanato-, Isocyanic acid, methylidynetriphenylene ester
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 3107-18-4 |
|---|---|
| SMILES | C1C=CC=CC1(C(C2(CC=CC=C2)N=C=O)C3(CC=CC=C3)N=C=O)N=C=O |
| InChIKey | ZZQYSMIHCIHECW-UHFFFAOYSA-N |
Product Overview
Methylidynetriphenylene triisocyanate (CAS 3107-18-4), with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol. IUPAC: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene.
Chemical Property Profile of Methylidynetriphenylene triisocyanate
Property Insights of Methylidynetriphenylene triisocyanate
The XLogP value of 7.3 indicates that Methylidynetriphenylene triisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylidynetriphenylene triisocyanate. Following Lipinski's Rule of Five, Methylidynetriphenylene triisocyanate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylidynetriphenylene triisocyanate?
The CAS number of Methylidynetriphenylene triisocyanate is 3107-18-4.
What is the molecular formula of Methylidynetriphenylene triisocyanate?
The molecular formula of Methylidynetriphenylene triisocyanate is C22H19N3O3.
What is the molecular weight of Methylidynetriphenylene triisocyanate?
The molecular weight of Methylidynetriphenylene triisocyanate is 373.14 g/mol.
Where can I buy Methylidynetriphenylene triisocyanate?
You can request a quote for Methylidynetriphenylene triisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylidynetriphenylene triisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Methylidynetriphenylene triisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.