RefChem:236453
TL;DR: RefChem:236453 (CAS 37683-60-6) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine
Also Known As: 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-, 12-(3-Dimethylaminopropyl)-9-methyl-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole, 6,7-Dihydro-12-(3-dimethylaminopropyl)-9-methyl-12H-(1)benzoxepino(5,4-b)indole, N,N-dimethyl-3-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine, 12H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-12-(3-DIMETHYLAMINOPROPYL)-9-METHYL
| Molecular Formula | C22H26N2O |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.2045 |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 37683-60-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2CCOC4=CC=CC=C43)CCCN(C)C |
| InChIKey | FTJLSLWJUYVQHV-UHFFFAOYSA-N |
Product Overview
RefChem:236453 (CAS 37683-60-6), with molecular formula C22H26N2O and molecular weight 334.20 g/mol. IUPAC: N,N-dimethyl-3-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine.
Chemical Property Profile of RefChem:236453
Property Insights of RefChem:236453
The XLogP value of 4.4 indicates that RefChem:236453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.4 Ų, RefChem:236453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236453 has 0 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 RefChem:236453?
The CAS number of RefChem:236453 is 37683-60-6.
What is the molecular formula of RefChem:236453?
The molecular formula of RefChem:236453 is C22H26N2O.
What is the molecular weight of RefChem:236453?
The molecular weight of RefChem:236453 is 334.20 g/mol.
Where can I buy RefChem:236453?
You can request a quote for RefChem:236453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.