5-Chloro-1,3,3-trimethyl-2-methyleneindoline
TL;DR: 5-Chloro-1,3,3-trimethyl-2-methyleneindoline (CAS 6872-17-9) is a chemical compound with molecular formula C12H14ClN and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3,3-trimethyl-2-methylideneindole
Also Known As: 5-Chloro-1,3,3-trimethyl-2-methyleneindoline, Barium distearate, 5-Chloro-2-methylene-1,3,3-trimethylindoline, 5-chloro-1,3,3-trimethyl-2-methylideneindole, Octadecanoic acid barium salt
| Molecular Formula | C12H14ClN |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.08148 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 6872-17-9 |
|---|---|
| SMILES | CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C |
| InChIKey | VDMXGJJMPKAYQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-1,3,3-trimethyl-2-methyleneindoline (CAS 6872-17-9), with molecular formula C12H14ClN and molecular weight 207.08 g/mol. IUPAC: 5-chloro-1,3,3-trimethyl-2-methylideneindole.
Chemical Property Profile of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline
Property Insights of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline
The XLogP value of 4.0 indicates that 5-Chloro-1,3,3-trimethyl-2-methyleneindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 5-Chloro-1,3,3-trimethyl-2-methyleneindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3,3-trimethyl-2-methyleneindoline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline?
The CAS number of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline is 6872-17-9.
What is the molecular formula of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline?
The molecular formula of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline is C12H14ClN.
What is the molecular weight of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline?
The molecular weight of 5-Chloro-1,3,3-trimethyl-2-methyleneindoline is 207.08 g/mol.
Where can I buy 5-Chloro-1,3,3-trimethyl-2-methyleneindoline?
You can request a quote for 5-Chloro-1,3,3-trimethyl-2-methyleneindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3,3-trimethyl-2-methyleneindoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3,3-trimethyl-2-methyleneindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.