Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) structure

Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)

TL;DR: Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) (CAS 68797-79-5) is a chemical compound with molecular formula C57H98O10Ti and molecular weight 990.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

tris(11-(3-pent-2-enyloxiran-2-yl)undec-9-enoic acid);propan-2-ol;titanium

Also Known As: Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1), (T-4)-Tris[11-[3-(2-penten-1-yl)-2-oxiranyl]-9-undecenoato-I masculineO](2-propanolato)titanium

CAS: 68797-79-5
Molecular Formula C57H98O10Ti
Molecular Weight 990.66 g/mol
LogP 15.0
Topological Polar Surface Area 170.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
Rotatable Bonds 39
Exact Mass 990.66394
Heavy Atoms 68
Complexity 1210.0

Chemical Identifiers

CAS Number 68797-79-5
SMILES CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O.CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O.CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O.CC(C)O.[Ti]
InChIKey KYOKNGYEQAKFEF-UHFFFAOYSA-N

Product Overview

Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) (CAS 68797-79-5), with molecular formula C57H98O10Ti and molecular weight 990.66 g/mol. IUPAC: tris(11-(3-pent-2-enyloxiran-2-yl)undec-9-enoic acid);propan-2-ol;titanium.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)

XLogP
15.0
TPSA (Topological Polar Surface Area)
170.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
10
Rotatable Bonds
39
Heavy Atoms
68
Complexity
1210.0
Exact Mass
990.66394
Monoisotopic Mass
990.66394
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)

The XLogP value of 15.0 indicates that Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)?

The CAS number of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) is 68797-79-5.

What is the molecular formula of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)?

The molecular formula of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) is C57H98O10Ti.

What is the molecular weight of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)?

The molecular weight of Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) is 990.66 g/mol.

Where can I buy Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)?

You can request a quote for Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1)?

Yes, KEHONG BIO provides custom synthesis services for Titanium(4+) 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoate propan-2-olate (1/3/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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