Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
TL;DR: Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate (CAS 93805-47-1) is a chemical compound with molecular formula C15H10N2O5S and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,4-diisocyanato-5-methylbenzenesulfonate
Also Known As: EINECS 298-530-2, Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate, phenyl 2,4-diisocyanato-5-methylbenzenesulfonate, phenyl 2,4-diisocyanato-5-methylbenzene-1-sulfonate, 2,4-Diisocyanato-5-methylbenzenesulfonic acid phenyl ester
| Molecular Formula | C15H10N2O5S |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 2.69732 |
| Topological Polar Surface Area | 102.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.03104 |
| Heavy Atoms | 23 |
| Complexity | 925.83966 |
Chemical Identifiers
| CAS Number | 93805-47-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=C=O)N=C=O)S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate (CAS 93805-47-1), with molecular formula C15H10N2O5S and molecular weight 330.03 g/mol. IUPAC: phenyl 2,4-diisocyanato-5-methylbenzenesulfonate.
Chemical Property Profile of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
Property Insights of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
The XLogP value of 2.69732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate. The TPSA of 102.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate. Following Lipinski's Rule of Five, Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate has 0 hydrogen bond donor(s) and 7 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 Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate?
The CAS number of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate is 93805-47-1.
What is the molecular formula of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate?
The molecular formula of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate is C15H10N2O5S.
What is the molecular weight of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate?
The molecular weight of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate is 330.03 g/mol.
Where can I buy Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate?
You can request a quote for Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.