4,4'-Methylenebis(phenyl isothiocyanate)
TL;DR: 4,4'-Methylenebis(phenyl isothiocyanate) (CAS 2798-05-2) is a chemical compound with molecular formula C15H10N2S2 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-[(4-isothiocyanatophenyl)methyl]benzene
Also Known As: 4,4'-Diisothiocyanatodiphenylmethane, 2-Isopropoxyaniline, 1-isothiocyanato-4-[(4-isothiocyanatophenyl)methyl]benzene, 4,4-Diisothiocyanatodiphenylmethane, 4,4'-Methylenebis(phenyl isothiocyanate)
| Molecular Formula | C15H10N2S2 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 4.746 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.02853 |
| Heavy Atoms | 19 |
| Complexity | 588.04987 |
Chemical Identifiers
| CAS Number | 2798-05-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=S)N=C=S |
Product Overview
4,4'-Methylenebis(phenyl isothiocyanate) (CAS 2798-05-2), with molecular formula C15H10N2S2 and molecular weight 282.03 g/mol. IUPAC: 1-isothiocyanato-4-[(4-isothiocyanatophenyl)methyl]benzene.
Chemical Property Profile of 4,4'-Methylenebis(phenyl isothiocyanate)
Property Insights of 4,4'-Methylenebis(phenyl isothiocyanate)
The XLogP value of 4.746 indicates that 4,4'-Methylenebis(phenyl isothiocyanate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, 4,4'-Methylenebis(phenyl isothiocyanate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Methylenebis(phenyl isothiocyanate) has 0 hydrogen bond donor(s) and 4 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 4,4'-Methylenebis(phenyl isothiocyanate)?
The CAS number of 4,4'-Methylenebis(phenyl isothiocyanate) is 2798-05-2.
What is the molecular formula of 4,4'-Methylenebis(phenyl isothiocyanate)?
The molecular formula of 4,4'-Methylenebis(phenyl isothiocyanate) is C15H10N2S2.
What is the molecular weight of 4,4'-Methylenebis(phenyl isothiocyanate)?
The molecular weight of 4,4'-Methylenebis(phenyl isothiocyanate) is 282.03 g/mol.
Where can I buy 4,4'-Methylenebis(phenyl isothiocyanate)?
You can request a quote for 4,4'-Methylenebis(phenyl isothiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(phenyl isothiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(phenyl isothiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.