CTK3I7632
TL;DR: CTK3I7632 (CAS 98721-48-3) is a chemical compound with molecular formula C44H68O15 and molecular weight 836.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;2,3-dihydroxypropyl benzoate;octadeca-9,12-dienoic acid;propane-1,2-diol
Also Known As: 1,3-Isobenzofurandione, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1,2-propanediol and 1,2,3-propanetriol, benzoate (9Z,12Z)-9,12-octadecadienoate, C18-H32-O2.x-(C8H4-O3.C5-H12-O4.C3-H8-O3.C3-H8-O2)x-.x-C7-H6-O2, 1,3-Isobenzofurandione, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1,2-propanediol and 1,2,3-propanetriol, benzoate (Z,Z)-9,12-octadecadienoate, 2,2-bis(hydroxymethyl)propane-1,3-diol; 2,3-dihydroxypropyl benzoate; isobenzofuran-1,3-dione; (9Z,12Z)-octadeca-9,12-dienoic acid; propane-1,2-diol, Propylene glycol, benzoic acid, linoleic acid, phthalic anhydride, pentaerythritol, glycerol polymer
| Molecular Formula | C44H68O15 |
|---|---|
| Molecular Weight | 836.46 g/mol |
| LogP | 4.3798 |
| Topological Polar Surface Area | 269.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Exact Mass | 836.4558 |
| Heavy Atoms | 59 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 98721-48-3 |
|---|---|
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)O.CC(CO)O.C1=CC=C(C=C1)C(=O)OCC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O |
| InChIKey | UBYHJNIFHSLIAX-UHFFFAOYSA-N |
Product Overview
CTK3I7632 (CAS 98721-48-3), with molecular formula C44H68O15 and molecular weight 836.46 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;2,3-dihydroxypropyl benzoate;octadeca-9,12-dienoic acid;propane-1,2-diol.
Chemical Property Profile of CTK3I7632
Property Insights of CTK3I7632
The XLogP value of 4.3798 indicates that CTK3I7632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 269.0 Ų indicates high polarity, suggesting CTK3I7632 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3I7632 has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3I7632?
The CAS number of CTK3I7632 is 98721-48-3.
What is the molecular formula of CTK3I7632?
The molecular formula of CTK3I7632 is C44H68O15.
What is the molecular weight of CTK3I7632?
The molecular weight of CTK3I7632 is 836.46 g/mol.
Where can I buy CTK3I7632?
You can request a quote for CTK3I7632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I7632?
Yes, KEHONG BIO provides custom synthesis services for CTK3I7632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.