A2906/0122483
TL;DR: A2906/0122483 (CAS 442566-63-4) is a chemical compound with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A2906/0122483, 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(3,4-DIMETHOXYPHENYL)-1,3-DIPHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C26H23N3O3S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 5.3312 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.14603 |
| Heavy Atoms | 33 |
| Complexity | 1289.1473 |
Chemical Identifiers
| CAS Number | 442566-63-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC |
Product Overview
A2906/0122483 (CAS 442566-63-4), with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A2906/0122483
Property Insights of A2906/0122483
The XLogP value of 5.3312 indicates that A2906/0122483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A2906/0122483. Following Lipinski's Rule of Five, A2906/0122483 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2906/0122483?
The CAS number of A2906/0122483 is 442566-63-4.
What is the molecular formula of A2906/0122483?
The molecular formula of A2906/0122483 is C26H23N3O3S.
What is the molecular weight of A2906/0122483?
The molecular weight of A2906/0122483 is 457.15 g/mol.
Where can I buy A2906/0122483?
You can request a quote for A2906/0122483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2906/0122483?
Yes, KEHONG BIO provides custom synthesis services for A2906/0122483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.