![1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/489/489443-13-2.png)
1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 489443-13-2) is a chemical compound with molecular formula C27H23N3O2S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1,3-diphenyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-(allyloxy)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 8,10-diphenyl-2-(4-prop-2-enoxyphenyl)-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
| Molecular Formula | C27H23N3O2S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 5.8788 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1511 |
| Heavy Atoms | 33 |
| Complexity | 1268.2366 |
Chemical Identifiers
| CAS Number | 489443-13-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 489443-13-2), with molecular formula C27H23N3O2S and molecular weight 453.15 g/mol. IUPAC: 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 5.8788 indicates that 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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, 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 489443-13-2.
What is the molecular formula of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C27H23N3O2S.
What is the molecular weight of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 453.15 g/mol.
Where can I buy 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diphenyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.