(C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-
TL;DR: (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- (CAS 58698-66-1) is a chemical compound with molecular formula C41H22N4O11 and molecular weight 746.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diisocyanato-1-methylbenzene;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-, 2,4-diisocyanato-1-methylbenzene;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, 1,3-Isobenzofurandione, 5,5'-carbonylbis-, polymer with 2,4-diisocyanato-1-methylbenzene and 1,1'-methylenebis[4-isocyanatobenzene], 1,3-Isobenzofurandione, 5,5'-carbonylbis-, polymer with 2,4-diisocyanato-1-methylbenzene and 1,1'-methylenebis(4-isocyanatobenzene), 2,4-diisocyanato-1-methylbenzene; 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
| Molecular Formula | C41H22N4O11 |
|---|---|
| Molecular Weight | 746.13 g/mol |
| LogP | 6.68042 |
| Topological Polar Surface Area | 221.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 746.1285 |
| Heavy Atoms | 56 |
| Complexity | 2486.4016 |
Chemical Identifiers
| CAS Number | 58698-66-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O |
Product Overview
(C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- (CAS 58698-66-1), with molecular formula C41H22N4O11 and molecular weight 746.13 g/mol. IUPAC: 2,4-diisocyanato-1-methylbenzene;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-
Property Insights of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-
The XLogP value of 6.68042 indicates that (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.53 Ų indicates high polarity, suggesting (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-?
The CAS number of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- is 58698-66-1.
What is the molecular formula of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-?
The molecular formula of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- is C41H22N4O11.
What is the molecular weight of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-?
The molecular weight of (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- is 746.13 g/mol.
Where can I buy (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-?
You can request a quote for (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C17-H6-O7.C15-H10-N2-O2.C9-H6-N2-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.