RefChem:1099266
TL;DR: RefChem:1099266 (CAS 53757-95-2) is a chemical compound with molecular formula C16H23NO5S and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen sulfate;(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-3-methoxy-11-methyl-, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-, sulfate (1:1), BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-3-METHOXY-11-METHYL-, (4bS, Sulfuric acid--3-methoxy-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (1/1), RefChem:1099266
| Molecular Formula | C16H23NO5S |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 0.41 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.1297 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 53757-95-2 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@H]3CC4=C([C@H]3C2)C=C(C=C4)OC.OS(=O)(=O)[O-] |
| InChIKey | KXNJEWHEKVTDQO-HOTLZPRUSA-N |
Product Overview
RefChem:1099266 (CAS 53757-95-2), with molecular formula C16H23NO5S and molecular weight 341.13 g/mol. IUPAC: hydrogen sulfate;(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene.
Chemical Property Profile of RefChem:1099266
Property Insights of RefChem:1099266
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099266. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099266. Following Lipinski's Rule of Five, RefChem:1099266 has 2 hydrogen bond donor(s) and 5 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:1099266?
The CAS number of RefChem:1099266 is 53757-95-2.
What is the molecular formula of RefChem:1099266?
The molecular formula of RefChem:1099266 is C16H23NO5S.
What is the molecular weight of RefChem:1099266?
The molecular weight of RefChem:1099266 is 341.13 g/mol.
Where can I buy RefChem:1099266?
You can request a quote for RefChem:1099266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099266?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.