ChemDiv1_005393
TL;DR: ChemDiv1_005393 (CAS 361994-23-2) is a chemical compound with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_005393, 2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide, 2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide, 2-((3-benzyl-5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)thio)acetamide, 2-({3-BENZYL-5-CYCLOHEXYL-5-METHYL-4-OXO-3H,4H,5H,6H-BENZO[H]QUINAZOLIN-2-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C28H31N3O2S |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 4.9301 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.21368 |
| Heavy Atoms | 34 |
| Complexity | 1264.3881 |
Chemical Identifiers
| CAS Number | 361994-23-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)N)CC4=CC=CC=C4)C5CCCCC5 |
Product Overview
ChemDiv1_005393 (CAS 361994-23-2), with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol. IUPAC: 2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_005393
Property Insights of ChemDiv1_005393
The XLogP value of 4.9301 indicates that ChemDiv1_005393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005393. Following Lipinski's Rule of Five, ChemDiv1_005393 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005393?
The CAS number of ChemDiv1_005393 is 361994-23-2.
What is the molecular formula of ChemDiv1_005393?
The molecular formula of ChemDiv1_005393 is C28H31N3O2S.
What is the molecular weight of ChemDiv1_005393?
The molecular weight of ChemDiv1_005393 is 473.21 g/mol.
Where can I buy ChemDiv1_005393?
You can request a quote for ChemDiv1_005393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005393?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.