C29H28N4O2S2
TL;DR: C29H28N4O2S2 (CAS 585551-32-2) is a chemical compound with molecular formula C29H28N4O2S2 and molecular weight 528.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((4-oxo-3-phenethyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide, 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C29H28N4O2S2 |
|---|---|
| Molecular Weight | 528.17 g/mol |
| LogP | 5.7082 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.16534 |
| Heavy Atoms | 37 |
| Complexity | 1475.7899 |
Chemical Identifiers
| CAS Number | 585551-32-2 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NC5=NC=CS5)CCC6=CC=CC=C6 |
Product Overview
C29H28N4O2S2 (CAS 585551-32-2), with molecular formula C29H28N4O2S2 and molecular weight 528.17 g/mol. IUPAC: 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of C29H28N4O2S2
Property Insights of C29H28N4O2S2
The XLogP value of 5.7082 indicates that C29H28N4O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H28N4O2S2. Following Lipinski's Rule of Five, C29H28N4O2S2 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H28N4O2S2?
The CAS number of C29H28N4O2S2 is 585551-32-2.
What is the molecular formula of C29H28N4O2S2?
The molecular formula of C29H28N4O2S2 is C29H28N4O2S2.
What is the molecular weight of C29H28N4O2S2?
The molecular weight of C29H28N4O2S2 is 528.17 g/mol.
Where can I buy C29H28N4O2S2?
You can request a quote for C29H28N4O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H28N4O2S2?
Yes, KEHONG BIO provides custom synthesis services for C29H28N4O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.