AO-364/40761372
TL;DR: AO-364/40761372 (CAS 421577-85-7) is a chemical compound with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AO-364/40761372, N-(3-chlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide, F1043-0016, 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
| Molecular Formula | C21H20ClN3O2S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 4.907 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.06854 |
| Heavy Atoms | 29 |
| Complexity | 1152.769 |
Chemical Identifiers
| CAS Number | 421577-85-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)Cl)SC4=C2CCCC4 |
Product Overview
AO-364/40761372 (CAS 421577-85-7), with molecular formula C21H20ClN3O2S2 and molecular weight 445.07 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AO-364/40761372
Property Insights of AO-364/40761372
The XLogP value of 4.907 indicates that AO-364/40761372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-364/40761372. Following Lipinski's Rule of Five, AO-364/40761372 has 1 hydrogen bond donor(s) and 5 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 AO-364/40761372?
The CAS number of AO-364/40761372 is 421577-85-7.
What is the molecular formula of AO-364/40761372?
The molecular formula of AO-364/40761372 is C21H20ClN3O2S2.
What is the molecular weight of AO-364/40761372?
The molecular weight of AO-364/40761372 is 445.07 g/mol.
Where can I buy AO-364/40761372?
You can request a quote for AO-364/40761372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-364/40761372?
Yes, KEHONG BIO provides custom synthesis services for AO-364/40761372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.