RefChem:1077398
TL;DR: RefChem:1077398 (CAS 15923-06-5) is a chemical compound with molecular formula C15H21ClN2O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-ium chloride
Also Known As: 1,2,3,4,5,6-Hexahydro-9-methoxy-3,6-dimethyl-azepino(4,5-b)indole hydrochloride, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-9-methoxy-3,6-dimethyl-, monohydrochloride, 9-Methoxy-3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-iumchloride, 9-methoxy-3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-ium chloride, AZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-9-METHOXY-3,6-DIMETHYL-, MONOHYDROCH
| Molecular Formula | C15H21ClN2O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 16.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13425 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 15923-06-5 |
|---|---|
| SMILES | C[NH+]1C2=C(CCN(CC2)C)C3=C1C=CC(=C3)OC.[Cl-] |
| InChIKey | PNGKUOUIQOVSAP-UHFFFAOYSA-N |
Product Overview
RefChem:1077398 (CAS 15923-06-5), with molecular formula C15H21ClN2O and molecular weight 280.13 g/mol. IUPAC: 9-methoxy-3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-ium chloride.
Chemical Property Profile of RefChem:1077398
Property Insights of RefChem:1077398
The XLogP value of -1.7 indicates that RefChem:1077398 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.9 Ų, RefChem:1077398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077398 has 1 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 RefChem:1077398?
The CAS number of RefChem:1077398 is 15923-06-5.
What is the molecular formula of RefChem:1077398?
The molecular formula of RefChem:1077398 is C15H21ClN2O.
What is the molecular weight of RefChem:1077398?
The molecular weight of RefChem:1077398 is 280.13 g/mol.
Where can I buy RefChem:1077398?
You can request a quote for RefChem:1077398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.