5-氯吲哚-3-甲醛
TL;DR: 5-氯吲哚-3-甲醛 (CAS 827-01-0) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯吲哚-3-甲醛
5-chloro-1H-indole-3-carbaldehyde
Also Known As: 5-Chloroindole-3-carboxaldehyde, 5-chloro-1H-indole-3-carbaldehyde, 5-chloro-3-formylindole, 5-chloroindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 5-chloro-
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.6338 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 433.0212 |
Chemical Identifiers
| CAS Number | 827-01-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CN2)C=O |
Product Overview
5-氯吲哚-3-甲醛 (CAS 827-01-0), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 5-chloro-1H-indole-3-carbaldehyde.
Chemical Property Profile of 5-氯吲哚-3-甲醛
Property Insights of 5-氯吲哚-3-甲醛
The XLogP value of 2.6338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯吲哚-3-甲醛. With a topological polar surface area (TPSA) of 32.86 Ų, 5-氯吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯吲哚-3-甲醛 has 1 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-氯吲哚-3-甲醛?
The CAS number of 5-氯吲哚-3-甲醛 is 827-01-0.
What is the molecular formula of 5-氯吲哚-3-甲醛?
The molecular formula of 5-氯吲哚-3-甲醛 is C9H6ClNO.
What is the molecular weight of 5-氯吲哚-3-甲醛?
The molecular weight of 5-氯吲哚-3-甲醛 is 179.01 g/mol.
Where can I buy 5-氯吲哚-3-甲醛?
You can request a quote for 5-氯吲哚-3-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-氯吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.