(C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-
TL;DR: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- (CAS 96446-47-8) is a chemical compound with molecular formula C28H32N4O10 and molecular weight 584.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid
Also Known As: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-, Adipic acid, polymer with 1,4-butandiol, 2,4-toluenediisocyanate, and 2,6-toluenediisocyanate, butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; hexanedioic acid, Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanato-2-methylbenzene and 2,4-diisocyanato-1-methylbenzene
| Molecular Formula | C28H32N4O10 |
|---|---|
| Molecular Weight | 584.21 g/mol |
| LogP | 4.32644 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 584.21185 |
| Heavy Atoms | 42 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 96446-47-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | XTCSGHCGSJHPHQ-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- (CAS 96446-47-8), with molecular formula C28H32N4O10 and molecular weight 584.21 g/mol. IUPAC: butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid.
Chemical Property Profile of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-
Property Insights of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-
The XLogP value of 4.32644 indicates that (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-?
The CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- is 96446-47-8.
What is the molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-?
The molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- is C28H32N4O10.
What is the molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-?
The molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- is 584.21 g/mol.
Where can I buy (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-?
You can request a quote for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.