1,3-dimethyl-1H-indole-2-carbaldehyde
TL;DR: 1,3-dimethyl-1H-indole-2-carbaldehyde (CAS 1971-44-4) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylindole-2-carbaldehyde
Also Known As: 1,3-dimethyl-1H-indole-2-carbaldehyde, 1,3-dimethylindole-2-carbaldehyde, 1,3-dimethyl-2-formylindole, TOS-BB-0650, PPFIDVGTLSYRKC-UHFFFAOYSA-
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.29922 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 429.14017 |
Chemical Identifiers
| CAS Number | 1971-44-4 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C)C=O |
Product Overview
1,3-dimethyl-1H-indole-2-carbaldehyde (CAS 1971-44-4), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 1,3-dimethylindole-2-carbaldehyde.
Chemical Property Profile of 1,3-dimethyl-1H-indole-2-carbaldehyde
Property Insights of 1,3-dimethyl-1H-indole-2-carbaldehyde
The XLogP value of 2.29922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-1H-indole-2-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1,3-dimethyl-1H-indole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-1H-indole-2-carbaldehyde 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 1,3-dimethyl-1H-indole-2-carbaldehyde?
The CAS number of 1,3-dimethyl-1H-indole-2-carbaldehyde is 1971-44-4.
What is the molecular formula of 1,3-dimethyl-1H-indole-2-carbaldehyde?
The molecular formula of 1,3-dimethyl-1H-indole-2-carbaldehyde is C11H11NO.
What is the molecular weight of 1,3-dimethyl-1H-indole-2-carbaldehyde?
The molecular weight of 1,3-dimethyl-1H-indole-2-carbaldehyde is 173.08 g/mol.
Where can I buy 1,3-dimethyl-1H-indole-2-carbaldehyde?
You can request a quote for 1,3-dimethyl-1H-indole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-1H-indole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-1H-indole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.