RefChem:1057338
TL;DR: RefChem:1057338 (CAS 53758-08-0) is a chemical compound with molecular formula C18H24ClN and molecular weight 289.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-15-(cyclopropylmethyl)-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-(cyclopropylmethyl)-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-, 11-(Cyclopropylmethyl)-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1), BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-11-(CYCLOPROPYLMETHYL)-, H, RefChem:1057338
| Molecular Formula | C18H24ClN |
|---|---|
| Molecular Weight | 289.16 g/mol |
| LogP | -0.82 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.15973 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 53758-08-0 |
|---|---|
| SMILES | C1CC1C[NH+]2C3CCC2[C@H]4CC5=CC=CC=C5[C@H]4C3.[Cl-] |
| InChIKey | OOQXRIOELKPZDE-HHSUNAATSA-N |
Product Overview
RefChem:1057338 (CAS 53758-08-0), with molecular formula C18H24ClN and molecular weight 289.16 g/mol. IUPAC: (2S,10S)-15-(cyclopropylmethyl)-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride.
Chemical Property Profile of RefChem:1057338
Property Insights of RefChem:1057338
The XLogP value of -0.82 indicates that RefChem:1057338 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1057338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057338 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:1057338?
The CAS number of RefChem:1057338 is 53758-08-0.
What is the molecular formula of RefChem:1057338?
The molecular formula of RefChem:1057338 is C18H24ClN.
What is the molecular weight of RefChem:1057338?
The molecular weight of RefChem:1057338 is 289.16 g/mol.
Where can I buy RefChem:1057338?
You can request a quote for RefChem:1057338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.