A2906/0122486
TL;DR: A2906/0122486 (CAS 442566-67-8) is a chemical compound with molecular formula C27H25N3O2S and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-4-(4-propan-2-yloxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A2906/0122486, 4-(4-isopropoxyphenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1,3-diphenyl-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1,3-diphenyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1,3-DIPHENYL-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C27H25N3O2S |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 6.1012 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.16675 |
| Heavy Atoms | 33 |
| Complexity | 1252.0383 |
Chemical Identifiers
| CAS Number | 442566-67-8 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A2906/0122486 (CAS 442566-67-8), with molecular formula C27H25N3O2S and molecular weight 455.17 g/mol. IUPAC: 1,3-diphenyl-4-(4-propan-2-yloxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A2906/0122486
Property Insights of A2906/0122486
The XLogP value of 6.1012 indicates that A2906/0122486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, A2906/0122486 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2906/0122486 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 A2906/0122486?
The CAS number of A2906/0122486 is 442566-67-8.
What is the molecular formula of A2906/0122486?
The molecular formula of A2906/0122486 is C27H25N3O2S.
What is the molecular weight of A2906/0122486?
The molecular weight of A2906/0122486 is 455.17 g/mol.
Where can I buy A2906/0122486?
You can request a quote for A2906/0122486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2906/0122486?
Yes, KEHONG BIO provides custom synthesis services for A2906/0122486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.