Benzene, didsocyanatomythyl(phenylmethyl)-
TL;DR: Benzene, didsocyanatomythyl(phenylmethyl)- (CAS 59491-40-6) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(diisocyanatomethyl)benzene
Also Known As: Benzene, didsocyanatomythyl(phenylmethyl)-, Didsocyanatomythyl(phenylmethyl)benzene, 1-benzyl-2-(diisocyanatomethyl)benzene
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 59491-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2C(N=C=O)N=C=O |
| InChIKey | NYMDHYWPNPDMRC-UHFFFAOYSA-N |
Product Overview
Benzene, didsocyanatomythyl(phenylmethyl)- (CAS 59491-40-6), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 1-benzyl-2-(diisocyanatomethyl)benzene.
Chemical Property Profile of Benzene, didsocyanatomythyl(phenylmethyl)-
Property Insights of Benzene, didsocyanatomythyl(phenylmethyl)-
The XLogP value of 5.6 indicates that Benzene, didsocyanatomythyl(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Benzene, didsocyanatomythyl(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, didsocyanatomythyl(phenylmethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, didsocyanatomythyl(phenylmethyl)-?
The CAS number of Benzene, didsocyanatomythyl(phenylmethyl)- is 59491-40-6.
What is the molecular formula of Benzene, didsocyanatomythyl(phenylmethyl)-?
The molecular formula of Benzene, didsocyanatomythyl(phenylmethyl)- is C16H12N2O2.
What is the molecular weight of Benzene, didsocyanatomythyl(phenylmethyl)-?
The molecular weight of Benzene, didsocyanatomythyl(phenylmethyl)- is 264.09 g/mol.
Where can I buy Benzene, didsocyanatomythyl(phenylmethyl)-?
You can request a quote for Benzene, didsocyanatomythyl(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, didsocyanatomythyl(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, didsocyanatomythyl(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.