(C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-
TL;DR: (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- (CAS 80146-18-5) is a chemical compound with molecular formula C20H32N2O9 and molecular weight 444.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane;propane-1,2-diol;propane-1,2,3-triol
Also Known As: (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-, 1,2,3-Propanetriol, polymer with 1,3-diisocyanatomethylbenzene, methyloxirane, oxirane and 1,2-propanediol, isononylphenyl ether, 1,2,3-Propanetriol, polymer with 1,3-diisocyanatomethylbenzene, 2-methyloxirane, oxirane and 1,2-propanediol, isononylphenyl ether, 1,3-diisocyanato-2-methyl-benzene; 2-methyloxirane; Oxirane; Propane-1,2-diol; Propane-1,2,3-triol, 1,3-diisocyanato-2-methylbenzene; 2-methyloxirane; oxirane; propane-1,2-diol; propane-1,2,3-triol
| Molecular Formula | C20H32N2O9 |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | 0.04272 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.2108 |
| Heavy Atoms | 31 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 80146-18-5 |
|---|---|
| SMILES | CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.CC(CO)O.C1CO1.C(C(CO)O)O |
| InChIKey | IUMZYUIBVZIPAT-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- (CAS 80146-18-5), with molecular formula C20H32N2O9 and molecular weight 444.21 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane;propane-1,2-diol;propane-1,2,3-triol.
Chemical Property Profile of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-
Property Insights of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-
The XLogP value of 0.04272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-. The TPSA of 185.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- has 5 hydrogen bond donor(s) and 11 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.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-?
The CAS number of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- is 80146-18-5.
What is the molecular formula of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-?
The molecular formula of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- is C20H32N2O9.
What is the molecular weight of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-?
The molecular weight of (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- is 444.21 g/mol.
Where can I buy (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-?
You can request a quote for (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)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.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C3-H8-O3.C3-H8-O2.C3-H6-O.C2-H4-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.