CID 111776
TL;DR: CID 111776 (CAS 68921-99-3) is a chemical compound with molecular formula C16H24O and molecular weight 232.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylbut-1-enyl)-4-(3-methylbutoxy)benzene
Also Known As: 1-(2-Methyl-1-butenyl)-4-(3-methylbutoxy)benzene, 1-(2-methylbut-1-enyl)-4-(3-methylbutoxy)benzene, Benzene, 1-(2-methyl-1-buten-1-yl)-4-(3-methylbutoxy)-
| Molecular Formula | C16H24O |
|---|---|
| Molecular Weight | 232.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.18271 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 68921-99-3 |
|---|---|
| SMILES | CCC(=CC1=CC=C(C=C1)OCCC(C)C)C |
| InChIKey | RJGKXOFFZNQAGM-UHFFFAOYSA-N |
Product Overview
CID 111776 (CAS 68921-99-3), with molecular formula C16H24O and molecular weight 232.18 g/mol. IUPAC: 1-(2-methylbut-1-enyl)-4-(3-methylbutoxy)benzene.
Chemical Property Profile of CID 111776
Property Insights of CID 111776
The XLogP value of 5.6 indicates that CID 111776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, CID 111776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 111776 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 111776?
The CAS number of CID 111776 is 68921-99-3.
What is the molecular formula of CID 111776?
The molecular formula of CID 111776 is C16H24O.
What is the molecular weight of CID 111776?
The molecular weight of CID 111776 is 232.18 g/mol.
Where can I buy CID 111776?
You can request a quote for CID 111776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 111776?
Yes, KEHONG BIO provides custom synthesis services for CID 111776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.