RefChem:236454
TL;DR: RefChem:236454 (CAS 37683-61-7) is a chemical compound with molecular formula C21H23ClN2O and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine
Also Known As: 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-9-chloro-12-(3-dimethylaminopropyl)-, 3-(9-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine, 6,7-Dihydro-9-chloro-12-(3-dimethylaminopropyl)-12H-(1)benzoxepino(5,4-b)indole, 9-Chloro-12-(3-dimethylaminopropyl)-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole, 12H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-9-CHLORO-12-(3-DIMETHYLAMINOPROPYL)
| Molecular Formula | C21H23ClN2O |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.1499 |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 37683-61-7 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(C=C(C=C2)Cl)C3=C1C4=CC=CC=C4OCC3 |
| InChIKey | KWHOQRKFVBSHRI-UHFFFAOYSA-N |
Product Overview
RefChem:236454 (CAS 37683-61-7), with molecular formula C21H23ClN2O and molecular weight 354.15 g/mol. IUPAC: 3-(9-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:236454
Property Insights of RefChem:236454
The XLogP value of 4.6 indicates that RefChem:236454 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:236454 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236454 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:236454?
The CAS number of RefChem:236454 is 37683-61-7.
What is the molecular formula of RefChem:236454?
The molecular formula of RefChem:236454 is C21H23ClN2O.
What is the molecular weight of RefChem:236454?
The molecular weight of RefChem:236454 is 354.15 g/mol.
Where can I buy RefChem:236454?
You can request a quote for RefChem:236454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236454?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.