![2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one structure](/static/products/500/500280-30-8.png)
2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
TL;DR: 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one (CAS 500280-30-8) is a chemical compound with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butoxyphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one, 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-butoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-butoxyphenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C28H27N3O2S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 6.4929 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.1824 |
| Heavy Atoms | 34 |
| Complexity | 1254.3231 |
Chemical Identifiers
| CAS Number | 500280-30-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one (CAS 500280-30-8), with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol. IUPAC: 4-(4-butoxyphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
Property Insights of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
The XLogP value of 6.4929 indicates that 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one?
The CAS number of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one is 500280-30-8.
What is the molecular formula of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one?
The molecular formula of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one is C28H27N3O2S.
What is the molecular weight of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one?
The molecular weight of 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one is 469.18 g/mol.
Where can I buy 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one?
You can request a quote for 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-butoxyphenyl)-8,10-diphenyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.