(C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-
TL;DR: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- (CAS 71519-77-2) is a chemical compound with molecular formula C28H33N5O8 and molecular weight 567.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-2-one;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-(2-hydroxyethoxy)ethanol
Also Known As: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-, 2H-Azepin-2-one, hexahydro-, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene and 2,2'-oxybis[ethanol], 2H-Azepin-2-one, hexahydro-, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene and 2,2'-oxybis(ethanol), azepan-2-one; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-(2-hydroxyethoxy)ethanol
| Molecular Formula | C28H33N5O8 |
|---|---|
| Molecular Weight | 567.23 g/mol |
| LogP | 3.52344 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.2329 |
| Heavy Atoms | 41 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 71519-77-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C(COCCO)O |
| InChIKey | ZKRGFHCPKVBCIU-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- (CAS 71519-77-2), with molecular formula C28H33N5O8 and molecular weight 567.23 g/mol. IUPAC: azepan-2-one;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-
Property Insights of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-
The XLogP value of 3.52344 indicates that (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)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-H11-N-O.C4-H10-O3)x- has 3 hydrogen bond donor(s) and 12 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-H11-N-O.C4-H10-O3)x-?
The CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- is 71519-77-2.
What is the molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-?
The molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- is C28H33N5O8.
What is the molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-?
The molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- is 567.23 g/mol.
Where can I buy (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x-?
You can request a quote for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)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-H11-N-O.C4-H10-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H11-N-O.C4-H10-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.