RefChem:1071149
TL;DR: RefChem:1071149 (CAS 53757-97-4) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-6-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene;4-methylbenzenesulfonate
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-2-methoxy-11-methyl-, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-, p-tolylsulfonate, 4-Methylbenzene-1-sulfonic acid--2-methoxy-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (1/1), BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-2-METHOXY-11-METHYL-, (4bS, RefChem:1071149
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 53757-97-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCC1[C@H]3CC4=C([C@H]3C2)C=CC(=C4)OC |
| InChIKey | TWIQNPZUSNWBLN-HOTLZPRUSA-N |
Product Overview
RefChem:1071149 (CAS 53757-97-4), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: (2S,10S)-6-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:1071149
Property Insights of RefChem:1071149
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071149. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071149. Following Lipinski's Rule of Five, RefChem:1071149 has 1 hydrogen bond donor(s) and 4 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:1071149?
The CAS number of RefChem:1071149 is 53757-97-4.
What is the molecular formula of RefChem:1071149?
The molecular formula of RefChem:1071149 is C23H29NO4S.
What is the molecular weight of RefChem:1071149?
The molecular weight of RefChem:1071149 is 415.18 g/mol.
Where can I buy RefChem:1071149?
You can request a quote for RefChem:1071149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071149?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.