(C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-
TL;DR: (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- (CAS 5460-47-9) is a chemical compound with molecular formula C20H29ClN2O3 and molecular weight 380.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)oxirane;ethane-1,2-diamine;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-, 2-(chloromethyl)oxirane; ethane-1,2-diamine; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol, 4,4'-(1-Methylethylidene)bis(phenol), polymer with (chloromethyl)oxirane and 1,2-ethanediamine, Phenol, 4,4'-(1-methylethylidene)bis-, polymer with (chloromethyl)oxirane and 1,2-ethanediamine, 2-(chloromethyl)oxirane; ethane-1,2-diamine; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
| Molecular Formula | C20H29ClN2O3 |
|---|---|
| Molecular Weight | 380.19 g/mol |
| LogP | 2.9515 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.18668 |
| Heavy Atoms | 26 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 5460-47-9 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C(CN)N |
| InChIKey | KLYIVRRCEZZZAN-UHFFFAOYSA-N |
Product Overview
(C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- (CAS 5460-47-9), with molecular formula C20H29ClN2O3 and molecular weight 380.19 g/mol. IUPAC: 2-(chloromethyl)oxirane;ethane-1,2-diamine;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-
Property Insights of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-
The XLogP value of 2.9515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-. Following Lipinski's Rule of Five, (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-?
The CAS number of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- is 5460-47-9.
What is the molecular formula of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-?
The molecular formula of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- is C20H29ClN2O3.
What is the molecular weight of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-?
The molecular weight of (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- is 380.19 g/mol.
Where can I buy (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x-?
You can request a quote for (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)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.C3-H5-Cl-O.C2-H8-N2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H16-O2.C3-H5-Cl-O.C2-H8-N2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.