A3552/0150587
TL;DR: A3552/0150587 (CAS 487038-19-7) is a chemical compound with molecular formula C30H33N5O2S and molecular weight 527.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-2-(12-ethyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetamide
Also Known As: A3552/0150587, N-(2,4-dimethylphenyl)-2-((4-ethyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)thio)acetamide, N-(2,4-dimethylphenyl)-2-[(4-ethyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide, N-(2,4-DIMETHYLPHENYL)-2-[(4-ETHYL-5-OXO-5,7-DIHYDRO-4H-SPIRO[BENZO[H][1,2,4]TRIAZOLO[4,3-A]QUINAZOLINE-6,1'-CYCLOHEXAN]-1-YL)THIO]ACETAMIDE
| Molecular Formula | C30H33N5O2S |
|---|---|
| Molecular Weight | 527.24 g/mol |
| LogP | 5.68354 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.2355 |
| Heavy Atoms | 38 |
| Complexity | 1613.1732 |
Chemical Identifiers
| CAS Number | 487038-19-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=O)NC6=C(C=C(C=C6)C)C |
Product Overview
A3552/0150587 (CAS 487038-19-7), with molecular formula C30H33N5O2S and molecular weight 527.24 g/mol. IUPAC: N-(2,4-dimethylphenyl)-2-(12-ethyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetamide.
Chemical Property Profile of A3552/0150587
Property Insights of A3552/0150587
The XLogP value of 5.68354 indicates that A3552/0150587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A3552/0150587. Following Lipinski's Rule of Five, A3552/0150587 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 A3552/0150587?
The CAS number of A3552/0150587 is 487038-19-7.
What is the molecular formula of A3552/0150587?
The molecular formula of A3552/0150587 is C30H33N5O2S.
What is the molecular weight of A3552/0150587?
The molecular weight of A3552/0150587 is 527.24 g/mol.
Where can I buy A3552/0150587?
You can request a quote for A3552/0150587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3552/0150587?
Yes, KEHONG BIO provides custom synthesis services for A3552/0150587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.