Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate
TL;DR: Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate (CAS 35531-99-8) is a chemical compound with molecular formula C16H28Cl2O2 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tritiomethyl (E)-7,11-dichloro-3,7,11-trimethyldodec-2-enoate
Also Known As: Cid 6913640, Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate, tritiomethyl (E)-7,11-dichloro-3,7,11-trimethyldodec-2-enoate, 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl-t ester, RefChem:158108
| Molecular Formula | C16H28Cl2O2 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 5.4612 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 324.15485 |
| Heavy Atoms | 20 |
| Complexity | 346.67636 |
Chemical Identifiers
| CAS Number | 35531-99-8 |
|---|---|
| SMILES | [3H]COC(=O)/C=C(\C)/CCCC(C)(CCCC(C)(C)Cl)Cl |
Product Overview
Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate (CAS 35531-99-8), with molecular formula C16H28Cl2O2 and molecular weight 324.15 g/mol. IUPAC: tritiomethyl (E)-7,11-dichloro-3,7,11-trimethyldodec-2-enoate.
Chemical Property Profile of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate
Property Insights of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate
The XLogP value of 5.4612 indicates that Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate?
The CAS number of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate is 35531-99-8.
What is the molecular formula of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate?
The molecular formula of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate is C16H28Cl2O2.
What is the molecular weight of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate?
The molecular weight of Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate is 324.15 g/mol.
Where can I buy Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate?
You can request a quote for Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-7,11-dichloro-3,7,11-trimethyl-2-dodeconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.