2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester
TL;DR: 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester (CAS 89913-74-6) is a chemical compound with molecular formula C18H27BrO3S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(11-bromoundecanoyl)thiophen-2-yl]acetate
Also Known As: Butene,chlorohexafluoro, ZERO/005712, methyl [5-(11-bromoundecanoyl)thiophen-2-yl]acetate, methyl 2-[5-(11-bromoundecanoyl)thiophen-2-yl]acetate, methyl 2-[5-(11-bromoundecanoyl)-2-thienyl]acetate
| Molecular Formula | C18H27BrO3S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 5.5521 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 402.08643 |
| Heavy Atoms | 23 |
| Complexity | 470.58667 |
Chemical Identifiers
| CAS Number | 89913-74-6 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(S1)C(=O)CCCCCCCCCCBr |
Product Overview
2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester (CAS 89913-74-6), with molecular formula C18H27BrO3S and molecular weight 402.09 g/mol. IUPAC: methyl 2-[5-(11-bromoundecanoyl)thiophen-2-yl]acetate.
Chemical Property Profile of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester
Property Insights of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester
The XLogP value of 5.5521 indicates that 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester 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 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester?
The CAS number of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester is 89913-74-6.
What is the molecular formula of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester?
The molecular formula of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester is C18H27BrO3S.
What is the molecular weight of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester?
The molecular weight of 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester is 402.09 g/mol.
Where can I buy 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester?
You can request a quote for 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetic acid, 5-(11-bromo-1-oxoundecyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.