Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-
TL;DR: Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- (CAS 102616-14-8) is a chemical compound with molecular formula C29H38O4 and molecular weight 450.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E,7E)-6,10-dimethyl-5-phenylmethoxyundeca-2,7-dien-4-yl] 2-phenylmethoxyacetate
Also Known As: Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-, [(2E,7E)-6,10-dimethyl-5-phenylmethoxy-undeca-2,7-dien-4-yl] 2-phenylmethoxyacetate, [(2E,7E)-6,10-dimethyl-5-phenylmethoxyundeca-2,7-dien-4-yl] 2-phenylmethoxyacetate
| Molecular Formula | C29H38O4 |
|---|---|
| Molecular Weight | 450.28 g/mol |
| LogP | 6.5149 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 450.277 |
| Heavy Atoms | 33 |
| Complexity | 842.4403 |
Chemical Identifiers
| CAS Number | 102616-14-8 |
|---|---|
| SMILES | C/C=C/C(C(C(C)/C=C/CC(C)C)OCC1=CC=CC=C1)OC(=O)COCC2=CC=CC=C2 |
Product Overview
Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- (CAS 102616-14-8), with molecular formula C29H38O4 and molecular weight 450.28 g/mol. IUPAC: [(2E,7E)-6,10-dimethyl-5-phenylmethoxyundeca-2,7-dien-4-yl] 2-phenylmethoxyacetate.
Chemical Property Profile of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-
Property Insights of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-
The XLogP value of 6.5149 indicates that Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-?
The CAS number of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- is 102616-14-8.
What is the molecular formula of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-?
The molecular formula of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- is C29H38O4.
What is the molecular weight of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-?
The molecular weight of Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- is 450.28 g/mol.
Where can I buy Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-?
You can request a quote for Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(phenylmethoxy)-, (1R,2R,3R,4E)-3,7-dimethyl-2-(phenylmethoxy)-1-(1E)-1-propen-1-yl-4-octen-1-yl ester, rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.