![4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one structure](/static/products/488/488100-67-0.png)
4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
TL;DR: 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 488100-67-0) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 5.4776 |
| Topological Polar Surface Area | 74.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1372.8177 |
Chemical Identifiers
| CAS Number | 488100-67-0 |
|---|---|
| SMILES | COCC1=C(C(=CC(=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC)OC |
Product Overview
4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 488100-67-0), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: 4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Property Insights of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
The XLogP value of 5.4776 indicates that 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one. Following Lipinski's Rule of Five, 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The CAS number of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 488100-67-0.
What is the molecular formula of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular formula of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is C28H27N3O4S.
What is the molecular weight of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular weight of 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 501.17 g/mol.
Where can I buy 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
You can request a quote for 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethoxy-5-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.