AF-399/40756790
TL;DR: AF-399/40756790 (CAS 379235-97-9) is a chemical compound with molecular formula C22H17Cl2N3O3S2 and molecular weight 505.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dichlorophenyl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/40756790, F1174-2971, N-(2,6-dichlorophenyl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, 2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,6-dichlorophenyl)acetamide, N-(2,6-dichlorophenyl)-2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H17Cl2N3O3S2 |
|---|---|
| Molecular Weight | 505.01 g/mol |
| LogP | 6.25002 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.00885 |
| Heavy Atoms | 32 |
| Complexity | 1370.828 |
Chemical Identifiers
| CAS Number | 379235-97-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC=C4Cl)Cl)CC=C |
Product Overview
AF-399/40756790 (CAS 379235-97-9), with molecular formula C22H17Cl2N3O3S2 and molecular weight 505.01 g/mol. IUPAC: N-(2,6-dichlorophenyl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/40756790
Property Insights of AF-399/40756790
The XLogP value of 6.25002 indicates that AF-399/40756790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756790. Following Lipinski's Rule of Five, AF-399/40756790 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 AF-399/40756790?
The CAS number of AF-399/40756790 is 379235-97-9.
What is the molecular formula of AF-399/40756790?
The molecular formula of AF-399/40756790 is C22H17Cl2N3O3S2.
What is the molecular weight of AF-399/40756790?
The molecular weight of AF-399/40756790 is 505.01 g/mol.
Where can I buy AF-399/40756790?
You can request a quote for AF-399/40756790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756790?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.