1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-
TL;DR: 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- (CAS 3889-03-0) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)methanol
Also Known As: 1H-AZEPINO(5,4,3-cd)INDOLE-2-METHANOL, 3,4,5,6-TETRAHYDRO-9-CHLORO-6-METHYL-, 9-Chloro-6-methyl-3,4,56-tetrahydro-1H-azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole-2-methanol, (+-)-9-Chlor-2-hydroxymethyl-6-methyl-3,4,5,6-tetrahydro-1H-azepino<5,4,3-cd>indol, (9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)methanol
| Molecular Formula | C13H15ClN2O |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0873 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 3889-03-0 |
|---|---|
| SMILES | CC1C2=C3C(=C(NC3=C(C=C2)Cl)CO)CCN1 |
| InChIKey | DCOVDJHRNPZGEB-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- (CAS 3889-03-0), with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol. IUPAC: (5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)methanol.
Chemical Property Profile of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-
Property Insights of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-. With a topological polar surface area (TPSA) of 48.1 Ų, 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- has 3 hydrogen bond donor(s) and 2 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 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-?
The CAS number of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- is 3889-03-0.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-?
The molecular formula of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- is C13H15ClN2O.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-?
The molecular weight of 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- is 250.09 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-?
You can request a quote for 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole-2-methanol, 3,4,5,6-tetrahydro-9-chloro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.