(C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O
TL;DR: (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O (CAS 68957-91-5) is a chemical compound with molecular formula C39H54ClNO8 and molecular weight 699.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)oxirane;2-(dimethylamino)ethanol;ethyl prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid;styrene
Also Known As: (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O, 2-(chloromethyl)oxirane; 2-(dimethylamino)ethanol; ethyl prop-2-enoate; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid; styrene, 2-Propenoic acid, 2-methyl-, polymer with (chloromethyl)oxirane, ethenylbenzene, ethyl 2-propenoate and 4,4'-(1-methylethylidene)bis(phenol), compd. with 2-(dimethylamino)ethanol, 2-Propenoic acid, 2-methyl-, polymer with (chloromethyl)oxirane, ethenylbenzene, ethyl 2-propenoate and 4,4'-(1-methylethylidene)bis[phenol], compd. with 2-(dimethylamino)ethanol, 2-Propenoic acid, 2-methyl-, polymer with (chloromethyl)oxirane, ethenylbenzene, ethyl 2-propenoate and 4,4'-(1-methylethylidene)bis[phenol], compound with 2-(dimethylamino)ethanol
| Molecular Formula | C39H54ClNO8 |
|---|---|
| Molecular Weight | 699.35 g/mol |
| LogP | 7.3002 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 699.3538 |
| Heavy Atoms | 49 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 68957-91-5 |
|---|---|
| SMILES | CCOC(=O)C=C.CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.CN(C)CCO.C=CC1=CC=CC=C1.C1C(O1)CCl |
| InChIKey | DNUKRBUKAVELML-UHFFFAOYSA-N |
Product Overview
(C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O (CAS 68957-91-5), with molecular formula C39H54ClNO8 and molecular weight 699.35 g/mol. IUPAC: 2-(chloromethyl)oxirane;2-(dimethylamino)ethanol;ethyl prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid;styrene.
Chemical Property Profile of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O
Property Insights of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O
The XLogP value of 7.3002 indicates that (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O has 4 hydrogen bond donor(s) and 9 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.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O?
The CAS number of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O is 68957-91-5.
What is the molecular formula of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O?
The molecular formula of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O is C39H54ClNO8.
What is the molecular weight of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O?
The molecular weight of (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O is 699.35 g/mol.
Where can I buy (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O?
You can request a quote for (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O 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.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O?
Yes, KEHONG BIO provides custom synthesis services for (C15-H16-O2.C8-H8.C5-H8-O2.C4-H6-O2.C3-H5-Cl-O)x-.x-C4-H11-N-O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.