RefChem:860819
TL;DR: RefChem:860819 (CAS 37478-72-1) is a chemical compound with molecular formula C47H57N3O4S2 and molecular weight 791.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-[3-tert-butyl-2-[(4,14-ditert-butyl-6,12-dimethyl-2,16-dioxa-9-thia-18,20,21-triazatetracyclo[15.3.1.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaen-19-yl)oxy]-5-methylphenyl]sulfanyl-4-methylphenol
Also Known As: Phenol, 2-[[2-[[4,12-bis(1,1-dimethylethyl)-2,14-dimethyl-10,6-nitrilo-6H-dibenzo[h,k][1,7,10,3,5]dioxathiadiazacyclododecin-8-yl]oxy]-3-(1,1-dimethylethyl)-5-methylphenyl]thio]-6-(1,1-dimethylethyl)-4-methyl-, Phenol, 2-((2-((4,12-bis(1,1-dimethylethyl)-2,14-dimethyl-10,6-nitrilo-6H-dibenzo(h,k)(1,7,10,3,5)dioxathiadiazacyclododecin-8-yl)oxy)-3-(1,1-dimethylethyl)-5-methylphenyl)thio)-6-(1,1-dimethylethyl)-4-methyl-, 2-[[2-[[4,12-Bis(1,1-dimethylethyl)-2,14-dimethyl-10,6-epinitrilo-6H-dibenzo[h,k][1,7,10,3,5]dioxathiaziazacyclododecin-8-yl]oxy]-3-(1,1-dimethylethyl)-5-methylphenyl]thio]-6-(1,1-dimethylethyl)-4-methylphenol, 2-tert-Butyl-6-[(3-tert-butyl-2-{[4,12-di-tert-butyl-2,14-dimethyl-6,10-(azeno)dibenzo[h,k][1,7,10,3,5]dioxathiadiazacyclododecin-8-yl]oxy}-5-methylphenyl)sulfanyl]-4-methylphenol, 2-tert-butyl-6-{[3-tert-butyl-2-({4,14-di-tert-butyl-6,12-dimethyl-2,16-dioxa-9-thia-18,20,21-triazatetracyclo[15.3.1.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaen-19-yl}oxy)-5-methylphenyl]sulfanyl}-4-methylphenol
| Molecular Formula | C47H57N3O4S2 |
|---|---|
| Molecular Weight | 791.38 g/mol |
| LogP | 13.99358 |
| Topological Polar Surface Area | 86.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 791.379 |
| Heavy Atoms | 56 |
| Complexity | 2251.691 |
Chemical Identifiers
| CAS Number | 37478-72-1 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3OC4=NC(=NC(=N4)O2)OC5=C(C=C(C=C5SC6=CC(=CC(=C6O)C(C)(C)C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C |
Product Overview
RefChem:860819 (CAS 37478-72-1), with molecular formula C47H57N3O4S2 and molecular weight 791.38 g/mol. IUPAC: 2-tert-butyl-6-[3-tert-butyl-2-[(4,14-ditert-butyl-6,12-dimethyl-2,16-dioxa-9-thia-18,20,21-triazatetracyclo[15.3.1.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaen-19-yl)oxy]-5-methylphenyl]sulfanyl-4-methylphenol.
Chemical Property Profile of RefChem:860819
Property Insights of RefChem:860819
The XLogP value of 13.99358 indicates that RefChem:860819 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:860819. Following Lipinski's Rule of Five, RefChem:860819 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:860819?
The CAS number of RefChem:860819 is 37478-72-1.
What is the molecular formula of RefChem:860819?
The molecular formula of RefChem:860819 is C47H57N3O4S2.
What is the molecular weight of RefChem:860819?
The molecular weight of RefChem:860819 is 791.38 g/mol.
Where can I buy RefChem:860819?
You can request a quote for RefChem:860819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:860819?
Yes, KEHONG BIO provides custom synthesis services for RefChem:860819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.