(C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-
TL;DR: (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- (CAS 68492-68-2) is a chemical compound with molecular formula C29H36ClNO5 and molecular weight 513.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid;prop-2-enenitrile
Also Known As: (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-, 2-Propenoic acid, 2-methyl-, polymer with 1,3-butadiene, (chloromethyl)oxirane, 4,4'-(1-methylethylidene)bis[phenol] and 2-propenenitrile, 2-Methyl-2-propenoic acid, polymer with 1,3-butadiene, (chloromethyl)oxirane, 4,4'-(1-methylethylidene)bis(phenol) and 2-propenenitrile, 2-Propenoic acid, 2-methyl-, polymer with 1,3-butadiene, (chloromethyl)-oxirane, 4,4'-(1-methylethylidene)bis(phenol) and 2-propenenitrile, 2-Propenoic acid, 2-methyl-, polymer with 1,3-butadiene, (chloromethyl)oxirane, 4,4'-(1-methylethylidene)bis(phenol) and 2-propenenitrile
| Molecular Formula | C29H36ClNO5 |
|---|---|
| Molecular Weight | 513.23 g/mol |
| LogP | 6.74918 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.2282 |
| Heavy Atoms | 36 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 68492-68-2 |
|---|---|
| SMILES | CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=CC=C.C=CC#N.C1C(O1)CCl |
| InChIKey | SVTUQULBUCLCMD-UHFFFAOYSA-N |
Product Overview
(C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- (CAS 68492-68-2), with molecular formula C29H36ClNO5 and molecular weight 513.23 g/mol. IUPAC: buta-1,3-diene;2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylprop-2-enoic acid;prop-2-enenitrile.
Chemical Property Profile of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-
Property Insights of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-
The XLogP value of 6.74918 indicates that (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-. Following Lipinski's Rule of Five, (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- has 3 hydrogen bond donor(s) and 6 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.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-?
The CAS number of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- is 68492-68-2.
What is the molecular formula of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-?
The molecular formula of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- is C29H36ClNO5.
What is the molecular weight of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-?
The molecular weight of (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- is 513.23 g/mol.
Where can I buy (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-?
You can request a quote for (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)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.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H16-O2.C4-H6-O2.C4-H6.C3-H5-Cl-O.C3-H3-N)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.