AJ-292/41083133
TL;DR: AJ-292/41083133 (CAS 433964-53-5) is a chemical compound with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: AJ-292/41083133, A2874/0121102, 4-(4-methoxy-3-(methoxymethyl)phenyl)-1,3-diphenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-[4-METHOXY-3-(METHOXYMETHYL)PHENYL]-1,3-DIPHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C27H25N3O3S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 5.469 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16165 |
| Heavy Atoms | 34 |
| Complexity | 1305.7122 |
Chemical Identifiers
| CAS Number | 433964-53-5 |
|---|---|
| SMILES | COCC1=C(C=CC(=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC |
Product Overview
AJ-292/41083133 (CAS 433964-53-5), with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol. IUPAC: 4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of AJ-292/41083133
Property Insights of AJ-292/41083133
The XLogP value of 5.469 indicates that AJ-292/41083133 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 AJ-292/41083133. Following Lipinski's Rule of Five, AJ-292/41083133 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 AJ-292/41083133?
The CAS number of AJ-292/41083133 is 433964-53-5.
What is the molecular formula of AJ-292/41083133?
The molecular formula of AJ-292/41083133 is C27H25N3O3S.
What is the molecular weight of AJ-292/41083133?
The molecular weight of AJ-292/41083133 is 471.16 g/mol.
Where can I buy AJ-292/41083133?
You can request a quote for AJ-292/41083133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41083133?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41083133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.