RefChem:1071146
TL;DR: RefChem:1071146 (CAS 53758-10-4) is a chemical compound with molecular formula C28H31NO3S and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;4-methylbenzenesulfonate
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-benzyl-, (4-beta-S-(4b-alpha,6-beta,9-beta,9a-alpha))-, p-tolylsulfonate, 4-Methylbenzene-1-sulfonic acid--11-benzyl-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-11-BENZYL-, (4-beta-S-(4b-, RefChem:1071146
| Molecular Formula | C28H31NO3S |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.20245 |
| Heavy Atoms | 33 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 53758-10-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2[C@H]3CC4=CC=CC=C4[C@H]3CC1[NH+]2CC5=CC=CC=C5 |
| InChIKey | HJFVHGATLHKQHB-RTOWUWACSA-N |
Product Overview
RefChem:1071146 (CAS 53758-10-4), with molecular formula C28H31NO3S and molecular weight 461.20 g/mol. IUPAC: (2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:1071146
Property Insights of RefChem:1071146
The XLogP value of 3.86 indicates that RefChem:1071146 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071146. Following Lipinski's Rule of Five, RefChem:1071146 has 1 hydrogen bond donor(s) and 3 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:1071146?
The CAS number of RefChem:1071146 is 53758-10-4.
What is the molecular formula of RefChem:1071146?
The molecular formula of RefChem:1071146 is C28H31NO3S.
What is the molecular weight of RefChem:1071146?
The molecular weight of RefChem:1071146 is 461.20 g/mol.
Where can I buy RefChem:1071146?
You can request a quote for RefChem:1071146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071146?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.