![Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- structure](/static/products/336/3368-88-5.png)
Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-
TL;DR: Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- (CAS 3368-88-5) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2,2-bis(hydroxymethyl)-9-methyl-6,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-8-ol
Also Known As: Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-, 2-Ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methylpyrido[3 ,4 :5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-Ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methylpyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5 -dimethanol, 2-Ethyl-5,5-bis(hydroxymethyl)-12-methyl-2,3,4,4a,5,6,11,12-octahydropyrido[3',4':5,6]cyclohepta[1,2-b]indol-12a(1H)-ol, 2-Ethyl-5,5-bis(hydroxymethyl)-12-methyl-2,3,4,4a,5,6,11,12-octahydropyrido[3',4':5,6]cyclohepta[1,2-b]indol-12a(1H)-ol #
| Molecular Formula | C21H30N2O3 |
|---|---|
| Molecular Weight | 358.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.22565 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 3368-88-5 |
|---|---|
| SMILES | CCN1CCC2C(C1)(C(CC3=C(C2(CO)CO)NC4=CC=CC=C34)C)O |
| InChIKey | DNKQMRFKOKBQKS-UHFFFAOYSA-N |
Product Overview
Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- (CAS 3368-88-5), with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol. IUPAC: 6-ethyl-2,2-bis(hydroxymethyl)-9-methyl-6,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-8-ol.
Chemical Property Profile of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-
Property Insights of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-. Following Lipinski's Rule of Five, Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- has 4 hydrogen bond donor(s) and 4 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 Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-?
The CAS number of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- is 3368-88-5.
What is the molecular formula of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-?
The molecular formula of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- is C21H30N2O3.
What is the molecular weight of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-?
The molecular weight of Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- is 358.23 g/mol.
Where can I buy Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-?
You can request a quote for Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrido[3',4':5,6]cyclohept[1,2-b]indole-5,5(1H)-dimethanol, 2-ethyl-2,3,4,4a,6,11,12,12a-octahydro-12a-hydroxy-12-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.