9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol
TL;DR: 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol (CAS 67989-24-6) is a chemical compound with molecular formula C23H44O3 and molecular weight 368.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethylpropyl) (Z)-octadec-9-enoate
Also Known As: Neopentyl glycol oleate, EINECS 268-008-9, 3-hydroxy-2,2-dimethylpropyl oleate, 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol, J3.753.301G
| Molecular Formula | C23H44O3 |
|---|---|
| Molecular Weight | 368.33 g/mol |
| LogP | 6.5856 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 368.32904 |
| Heavy Atoms | 26 |
| Complexity | 347.3621 |
Chemical Identifiers
| CAS Number | 67989-24-6 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)CO |
Product Overview
9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol (CAS 67989-24-6), with molecular formula C23H44O3 and molecular weight 368.33 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) (Z)-octadec-9-enoate.
Chemical Property Profile of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol
Property Insights of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol
The XLogP value of 6.5856 indicates that 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol?
The CAS number of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol is 67989-24-6.
What is the molecular formula of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol?
The molecular formula of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol is C23H44O3.
What is the molecular weight of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol?
The molecular weight of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol is 368.33 g/mol.
Where can I buy 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol?
You can request a quote for 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.