AF-399/15335167
TL;DR: AF-399/15335167 (CAS 315676-55-2) is a chemical compound with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/15335167, 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-oxoethylthio)-3-prop-2-enyl-3,5,6,7, 8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H20N2O4S2 |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 4.2265 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.08646 |
| Heavy Atoms | 30 |
| Complexity | 1228.081 |
Chemical Identifiers
| CAS Number | 315676-55-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC5=C2CCCC5 |
Product Overview
AF-399/15335167 (CAS 315676-55-2), with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/15335167
Property Insights of AF-399/15335167
The XLogP value of 4.2265 indicates that AF-399/15335167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335167. Following Lipinski's Rule of Five, AF-399/15335167 has 0 hydrogen bond donor(s) and 7 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 AF-399/15335167?
The CAS number of AF-399/15335167 is 315676-55-2.
What is the molecular formula of AF-399/15335167?
The molecular formula of AF-399/15335167 is C22H20N2O4S2.
What is the molecular weight of AF-399/15335167?
The molecular weight of AF-399/15335167 is 440.09 g/mol.
Where can I buy AF-399/15335167?
You can request a quote for AF-399/15335167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335167?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.