哈尔酚
TL;DR: 哈尔酚 (CAS 487-03-6) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哈尔酚
1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
Also Known As: Harmol, 1-methyl-9H-pyrido[3,4-b]indol-7-ol, 7-Hydroxyharman, Methylpyridoindolol, Harmol (Standard)
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 487-03-6 |
|---|---|
| SMILES | CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1 |
| InChIKey | LBBJNGFCXDOYMQ-UHFFFAOYSA-N |
Product Overview
哈尔酚 (CAS 487-03-6), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one.
Chemical Property Profile of 哈尔酚
Property Insights of 哈尔酚
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 哈尔酚. With a topological polar surface area (TPSA) of 41.1 Ų, 哈尔酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 哈尔酚 has 2 hydrogen bond donor(s) and 3 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 哈尔酚?
The CAS number of 哈尔酚 is 487-03-6.
What is the molecular formula of 哈尔酚?
The molecular formula of 哈尔酚 is C12H10N2O.
What is the molecular weight of 哈尔酚?
The molecular weight of 哈尔酚 is 198.08 g/mol.
Where can I buy 哈尔酚?
You can request a quote for 哈尔酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哈尔酚?
Yes, KEHONG BIO provides custom synthesis services for 哈尔酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.