AJ-292/42006082
TL;DR: AJ-292/42006082 (CAS 487025-48-9) is a chemical compound with molecular formula C29H26N4O2S2 and molecular weight 526.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzhydryl-2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetamide
Also Known As: AJ-292/42006082, N-benzhydryl-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetamide, 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(diphenylmethyl)acetamide, N-Benzhydryl-2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetamide, N-Benzhydryl-2-(8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-ylsulfanyl)-a cetamide
| Molecular Formula | C29H26N4O2S2 |
|---|---|
| Molecular Weight | 526.15 g/mol |
| LogP | 6.0887 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1497 |
| Heavy Atoms | 37 |
| Complexity | 1546.4718 |
Chemical Identifiers
| CAS Number | 487025-48-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)SCC(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6)C |
Product Overview
AJ-292/42006082 (CAS 487025-48-9), with molecular formula C29H26N4O2S2 and molecular weight 526.15 g/mol. IUPAC: N-benzhydryl-2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetamide.
Chemical Property Profile of AJ-292/42006082
Property Insights of AJ-292/42006082
The XLogP value of 6.0887 indicates that AJ-292/42006082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/42006082. Following Lipinski's Rule of Five, AJ-292/42006082 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/42006082?
The CAS number of AJ-292/42006082 is 487025-48-9.
What is the molecular formula of AJ-292/42006082?
The molecular formula of AJ-292/42006082 is C29H26N4O2S2.
What is the molecular weight of AJ-292/42006082?
The molecular weight of AJ-292/42006082 is 526.15 g/mol.
Where can I buy AJ-292/42006082?
You can request a quote for AJ-292/42006082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42006082?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42006082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.