(C21-H24-O4.C9-H22-N2.C8-H12-N2)x-
TL;DR: (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- (CAS 68738-77-2) is a chemical compound with molecular formula C38H58N4O4 and molecular weight 634.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(aminomethyl)phenyl]methanamine;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;2,2,4-trimethylhexane-1,6-diamine
Also Known As: (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-, 1,3-Benzenedimethanamine, polymer with 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis[oxirane] and 2,2,4-trimethyl-1,6-hexanediamine, [3-(aminomethyl)phenyl]methanamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane; 2,2,4-trimethylhexane-1,6-diamine, 1,3-Benzenedimethanamine, polymer with 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis(oxirane) and 2,2,4-trimethyl-1,6-hexanediamine, 1,3-Benzenedimethanamine, polymer with 2,2'-[(1-methylethylidene) bis(4,1-phenyleneoxymethylene)]bis[oxirane] and 2,2,4-trimethyl-1,6-hexanediamine
| Molecular Formula | C38H58N4O4 |
|---|---|
| Molecular Weight | 634.45 g/mol |
| LogP | 5.518 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 634.4458 |
| Heavy Atoms | 46 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 68738-77-2 |
|---|---|
| SMILES | CC(CCN)CC(C)(C)CN.CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C1=CC(=CC(=C1)CN)CN |
| InChIKey | FYKYKQRIWRTFCQ-UHFFFAOYSA-N |
Product Overview
(C21-H24-O4.C9-H22-N2.C8-H12-N2)x- (CAS 68738-77-2), with molecular formula C38H58N4O4 and molecular weight 634.45 g/mol. IUPAC: [3-(aminomethyl)phenyl]methanamine;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;2,2,4-trimethylhexane-1,6-diamine.
Chemical Property Profile of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-
Property Insights of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-
The XLogP value of 5.518 indicates that (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-?
The CAS number of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- is 68738-77-2.
What is the molecular formula of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-?
The molecular formula of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- is C38H58N4O4.
What is the molecular weight of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-?
The molecular weight of (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- is 634.45 g/mol.
Where can I buy (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-?
You can request a quote for (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C21-H24-O4.C9-H22-N2.C8-H12-N2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C21-H24-O4.C9-H22-N2.C8-H12-N2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.