(C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-
TL;DR: (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- (CAS 68698-81-7) is a chemical compound with molecular formula C33H46N2O14 and molecular weight 694.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;hexanedioic acid;hexane-1,6-diol
Also Known As: (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene, hexanedioic acid and 1,6-hexanediol, benzene-1,3-dicarboxylic acid; butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; hexane-1,6-diol
| Molecular Formula | C33H46N2O14 |
|---|---|
| Molecular Weight | 694.29 g/mol |
| LogP | 4.01122 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 694.2949 |
| Heavy Atoms | 49 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 68698-81-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | MQIWVEWCGXQSTL-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- (CAS 68698-81-7), with molecular formula C33H46N2O14 and molecular weight 694.29 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;hexanedioic acid;hexane-1,6-diol.
Chemical Property Profile of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-
Property Insights of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-
The XLogP value of 4.01122 indicates that (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 289.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C8-H6-O4.C6-H14-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.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- has 8 hydrogen bond donor(s) and 16 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.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-?
The CAS number of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- is 68698-81-7.
What is the molecular formula of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-?
The molecular formula of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- is C33H46N2O14.
What is the molecular weight of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-?
The molecular weight of (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- is 694.29 g/mol.
Where can I buy (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-?
You can request a quote for (C9-H6-N2-O2.C8-H6-O4.C6-H14-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.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C8-H6-O4.C6-H14-O2.C6-H10-O4.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.