RefChem:349402
TL;DR: RefChem:349402 (CAS 57529-85-8) is a chemical compound with molecular formula C19H21ClN2 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethyl-methylazanium chloride
Also Known As: 6,7-Dihydro-N-methyl-indolo(1,7-ab)(1)benzazepine-1-ethanamine hydrochloride, Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N-methyl-, monohydrochloride, INDOLO(1,7-ab)(1)BENZAZEPINE-1-ETHANAMINE, 6,7-DIHYDRO-N-METHYL-, MONOHYDROCHLOR, RefChem:349402
| Molecular Formula | C19H21ClN2 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.1393 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 57529-85-8 |
|---|---|
| SMILES | C[NH2+]CCC1=CC2=C3N1C4=CC=CC=C4CCC3=CC=C2.[Cl-] |
| InChIKey | ZRABQAYUPRUKFS-UHFFFAOYSA-N |
Product Overview
RefChem:349402 (CAS 57529-85-8), with molecular formula C19H21ClN2 and molecular weight 312.14 g/mol. IUPAC: 2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethyl-methylazanium chloride.
Chemical Property Profile of RefChem:349402
Property Insights of RefChem:349402
The XLogP value of -0.53 indicates that RefChem:349402 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:349402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349402 has 1 hydrogen bond donor(s) and 1 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:349402?
The CAS number of RefChem:349402 is 57529-85-8.
What is the molecular formula of RefChem:349402?
The molecular formula of RefChem:349402 is C19H21ClN2.
What is the molecular weight of RefChem:349402?
The molecular weight of RefChem:349402 is 312.14 g/mol.
Where can I buy RefChem:349402?
You can request a quote for RefChem:349402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349402?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.