RefChem:349405
TL;DR: RefChem:349405 (CAS 41987-47-7) 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.
1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-15-ylmethyl(dimethyl)azanium chloride
Also Known As: 6,7-Dihydro-N,N-dimethyl-indolo(1,7-ab)(1)benzazepine-2-methanamine hydrochloride, Indolo(1,7-ab)(1)benzazepine-2-methanamine, 6,7-dihydro-N,N-dimethyl-, monohydrochloride, INDOLO(1,7-ab)(1)BENZAZEPINE-2-METHANAMINE, 6,7-DIHYDRO-N,N-DIMETHYL-, MONOHYDRO, RefChem:349405
| Molecular Formula | C19H21ClN2 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.1393 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 41987-47-7 |
|---|---|
| SMILES | C[NH+](C)CC1=CN2C3=CC=CC=C3CCC4=C2C1=CC=C4.[Cl-] |
| InChIKey | ZCCXUCLVUIIUNA-UHFFFAOYSA-N |
Product Overview
RefChem:349405 (CAS 41987-47-7), with molecular formula C19H21ClN2 and molecular weight 312.14 g/mol. IUPAC: 1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-15-ylmethyl(dimethyl)azanium chloride.
Chemical Property Profile of RefChem:349405
Property Insights of RefChem:349405
The XLogP value of -0.62 indicates that RefChem:349405 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.4 Ų, RefChem:349405 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349405 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:349405?
The CAS number of RefChem:349405 is 41987-47-7.
What is the molecular formula of RefChem:349405?
The molecular formula of RefChem:349405 is C19H21ClN2.
What is the molecular weight of RefChem:349405?
The molecular weight of RefChem:349405 is 312.14 g/mol.
Where can I buy RefChem:349405?
You can request a quote for RefChem:349405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349405?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.