(C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-
TL;DR: (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- (CAS 5334-49-6) is a chemical compound with molecular formula C31H35ClN2O3 and molecular weight 518.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)methyl]aniline;2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-, 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol, 4-[(4-aminophenyl)methyl]aniline; 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol, 4-[(4-aminophenyl)methyl]aniline;2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol, Phenol, 4,4'-(1-methylethylidene)bis-, polymer with (chloromethyl)oxirane and 4,4'-methylenebis(benzenamine)
| Molecular Formula | C31H35ClN2O3 |
|---|---|
| Molecular Weight | 518.23 g/mol |
| LogP | 6.4895 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.23364 |
| Heavy Atoms | 37 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 5334-49-6 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N |
| InChIKey | BKONHSQBEXVXCA-UHFFFAOYSA-N |
Product Overview
(C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- (CAS 5334-49-6), with molecular formula C31H35ClN2O3 and molecular weight 518.23 g/mol. IUPAC: 4-[(4-aminophenyl)methyl]aniline;2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-
Property Insights of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-
The XLogP value of 6.4895 indicates that (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-. Following Lipinski's Rule of Five, (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-?
The CAS number of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- is 5334-49-6.
What is the molecular formula of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-?
The molecular formula of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- is C31H35ClN2O3.
What is the molecular weight of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-?
The molecular weight of (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- is 518.23 g/mol.
Where can I buy (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-?
You can request a quote for (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H16-O2.C13-H14-N2.C3-H5-Cl-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.