(C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-
TL;DR: (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- (CAS 63641-79-2) is a chemical compound with molecular formula C25H42N4O7 and molecular weight 510.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;2-methylpiperazine;oxirane
Also Known As: (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-, 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; 2-methylpiperazine; oxirane, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-diisocyanatomethylbenzene, 2-methyloxirane, 2-methylpiperazine and oxirane, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-diisocyanatomethylbenzene, methyloxirane, 2-methylpiperazine and oxirane
| Molecular Formula | C25H42N4O7 |
|---|---|
| Molecular Weight | 510.31 g/mol |
| LogP | 1.27872 |
| Topological Polar Surface Area | 168.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.30536 |
| Heavy Atoms | 36 |
| Complexity | 739.0828 |
Chemical Identifiers
| CAS Number | 63641-79-2 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1CNCCN1.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1 |
Product Overview
(C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- (CAS 63641-79-2), with molecular formula C25H42N4O7 and molecular weight 510.31 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;2-methylpiperazine;oxirane.
Chemical Property Profile of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-
Property Insights of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-
The XLogP value of 1.27872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-. The TPSA of 168.67 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.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.C6-H14-O3.C5-H12-N2.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.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-?
The CAS number of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- is 63641-79-2.
What is the molecular formula of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-?
The molecular formula of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- is C25H42N4O7.
What is the molecular weight of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-?
The molecular weight of (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- is 510.31 g/mol.
Where can I buy (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-?
You can request a quote for (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.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.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C6-H14-O3.C5-H12-N2.C3-H6-O.C2-H4-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.