(C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-
TL;DR: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- (CAS 67989-74-6) is a chemical compound with molecular formula C30H36N4O10 and molecular weight 612.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid;hexane-1,6-diol
Also Known As: (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-, Adipic acid, 1,6-hexanediol, toluene-2,4-diisocyanate, toluene-2,6-diisocyanate polymer, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene and 1,6-hexanediol, 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; hexanedioic acid; hexane-1,6-diol, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene,2,4-diisocyanato-1-methylbenzene and 1,6-hexanediol
| Molecular Formula | C30H36N4O10 |
|---|---|
| Molecular Weight | 612.24 g/mol |
| LogP | 5.10664 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 612.24316 |
| Heavy Atoms | 44 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 67989-74-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | MFPGIRKTTQVMHJ-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- (CAS 67989-74-6), with molecular formula C30H36N4O10 and molecular weight 612.24 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid;hexane-1,6-diol.
Chemical Property Profile of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-
Property Insights of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-
The XLogP value of 5.10664 indicates that (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)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-H14-O2.C6-H10-O4)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-H14-O2.C6-H10-O4)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-H14-O2.C6-H10-O4)x-?
The CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- is 67989-74-6.
What is the molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-?
The molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- is C30H36N4O10.
What is the molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-?
The molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- is 612.24 g/mol.
Where can I buy (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x-?
You can request a quote for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)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-H14-O2.C6-H10-O4)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O2.C6-H10-O4)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.