(C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-
TL;DR: (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- (CAS 50862-31-2) is a chemical compound with molecular formula C36H40N2O16 and molecular weight 756.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;nonanedioic acid;terephthalic acid
Also Known As: (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-diisocyanatomethylbenzene, 1,2-ethanediol and nonanedioic acid, benzene-1,3-dicarboxylic acid; 1,3-diisocyanato-2-methylbenzene; ethane-1,2-diol; nonanedioic acid; terephthalic acid
| Molecular Formula | C36H40N2O16 |
|---|---|
| Molecular Weight | 756.24 g/mol |
| LogP | 4.95292 |
| Topological Polar Surface Area | 323.12 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 756.2378 |
| Heavy Atoms | 54 |
| Complexity | 1641.9062 |
Chemical Identifiers
| CAS Number | 50862-31-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CO)O |
Product Overview
(C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- (CAS 50862-31-2), with molecular formula C36H40N2O16 and molecular weight 756.24 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;nonanedioic acid;terephthalic acid.
Chemical Property Profile of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-
Property Insights of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-
The XLogP value of 4.95292 indicates that (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 323.12 Ų indicates high polarity, suggesting (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- has 8 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-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-?
The CAS number of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- is 50862-31-2.
What is the molecular formula of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-?
The molecular formula of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- is C36H40N2O16.
What is the molecular weight of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-?
The molecular weight of (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- is 756.24 g/mol.
Where can I buy (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-?
You can request a quote for (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-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-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H16-O4.C9-H6-N2-O2.C8-H6-O4.C8-H6-O4.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.