RefChem:1089077
TL;DR: RefChem:1089077 (CAS 51805-84-6) is a chemical compound with molecular formula C18H25NO5S and molecular weight 367.14536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methanesulfonate;[(2S,3R,10S)-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-yl] acetate
Also Known As: Benz(a)azulen-6,9-imin-10-ol, 4b,5,6,7,8,9,9a,10-octahydro-11-methyl-, acetate (ester), methanesulfonate (salt), (4bS-(4b-alpha,6-beta,9-beta,9a-alpha,10-beta))-, BENZ(a)AZULEN-6,9-IMIN-10-OL, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-11-METHYL-, ACETATE (, Methanesulfonic acid--11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-yl acetate (1/1)
Technical Specifications
| Molecular Formula | C18H25NO5S |
| Molecular Weight | 367.14536 g/mol |
| XLogP | 0.62 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.14536 Da |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
| SMILES | CC(=O)O[C@@H]1[C@H]2[C@H](CC3CCC2[NH+]3C)C4=CC=CC=C14.CS(=O)(=O)[O-] |
| InChIKey | ROXGBSRMAIYOPW-NNBNZNNYSA-N |
Chemical Property Profile of RefChem:1089077
Property Insights of RefChem:1089077
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089077. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089077. Following Lipinski's Rule of Five, RefChem:1089077 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1089077?
The CAS number of RefChem:1089077 is 51805-84-6.
What is the molecular formula of RefChem:1089077?
The molecular formula of RefChem:1089077 is C18H25NO5S.
What is the molecular weight of RefChem:1089077?
The molecular weight of RefChem:1089077 is 367.14536 g/mol.
Where can I buy RefChem:1089077?
You can request a quote for RefChem:1089077 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1089077?
Yes, CoreyChem provides custom synthesis services for RefChem:1089077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.