RefChem:1057372
TL;DR: RefChem:1057372 (CAS 53758-00-2) is a chemical compound with molecular formula C15H20BrNO and molecular weight 309.07 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(9),5,7-trien-7-ol bromide
Also Known As: Benz(a)azulen-6,9-imin-3-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, hydrobromide, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-3-ol--hydrogen bromide (1/1), BENZ(a)AZULEN-6,9-IMIN-3-OL, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-11-METHYL-, HYDROBROMI, RefChem:1057372
| Molecular Formula | C15H20BrNO |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.0728 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 53758-00-2 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@H]3CC4=C([C@H]3C2)C=C(C=C4)O.[Br-] |
| InChIKey | AYCUPWXMHHYNSC-HQYIRDQCSA-N |
Product Overview
RefChem:1057372 (CAS 53758-00-2), with molecular formula C15H20BrNO and molecular weight 309.07 g/mol. IUPAC: (2S,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-7-ol bromide.
Chemical Property Profile of RefChem:1057372
Property Insights of RefChem:1057372
The XLogP value of -1.9 indicates that RefChem:1057372 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:1057372 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057372 has 2 hydrogen bond donor(s) and 2 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:1057372?
The CAS number of RefChem:1057372 is 53758-00-2.
What is the molecular formula of RefChem:1057372?
The molecular formula of RefChem:1057372 is C15H20BrNO.
What is the molecular weight of RefChem:1057372?
The molecular weight of RefChem:1057372 is 309.07 g/mol.
Where can I buy RefChem:1057372?
You can request a quote for RefChem:1057372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057372?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.