RefChem:1057374
TL;DR: RefChem:1057374 (CAS 51829-77-7) is a chemical compound with molecular formula C15H20ClN and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride
Also Known As: (1R,3S,4aS,9as)-1,2,3,4,4a,9a-hexahydro-2-methyl-9H-1,3-ethanoindeno(2,1-c)pyridine, Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-, Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrochloride, (4br-(4b-alpha,6-beta,9-beta,9a-alpha))-, BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-11-METHYL-, HYDROCHLORIDE,, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)
| Molecular Formula | C15H20ClN |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.12843 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 51829-77-7 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@H]3CC4=CC=CC=C4[C@H]3C2.[Cl-] |
| InChIKey | CZBPGVYISOGLEB-VVNYJQLFSA-N |
Product Overview
RefChem:1057374 (CAS 51829-77-7), with molecular formula C15H20ClN and molecular weight 249.13 g/mol. IUPAC: (2S,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride.
Chemical Property Profile of RefChem:1057374
Property Insights of RefChem:1057374
The XLogP value of -1.6 indicates that RefChem:1057374 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:1057374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057374 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:1057374?
The CAS number of RefChem:1057374 is 51829-77-7.
What is the molecular formula of RefChem:1057374?
The molecular formula of RefChem:1057374 is C15H20ClN.
What is the molecular weight of RefChem:1057374?
The molecular weight of RefChem:1057374 is 249.13 g/mol.
Where can I buy RefChem:1057374?
You can request a quote for RefChem:1057374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057374?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.