AF-399/40851636
TL;DR: AF-399/40851636 (CAS 496024-30-7) is a chemical compound with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylphenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/40851636, 2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide, N-(2,5-dimethylphenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
| Molecular Formula | C23H21N3O3S2 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 5.25164 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.10245 |
| Heavy Atoms | 31 |
| Complexity | 1320.0889 |
Chemical Identifiers
| CAS Number | 496024-30-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2CC=C |
Product Overview
AF-399/40851636 (CAS 496024-30-7), with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol. IUPAC: N-(2,5-dimethylphenyl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/40851636
Property Insights of AF-399/40851636
The XLogP value of 5.25164 indicates that AF-399/40851636 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-399/40851636. Following Lipinski's Rule of Five, AF-399/40851636 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-399/40851636?
The CAS number of AF-399/40851636 is 496024-30-7.
What is the molecular formula of AF-399/40851636?
The molecular formula of AF-399/40851636 is C23H21N3O3S2.
What is the molecular weight of AF-399/40851636?
The molecular weight of AF-399/40851636 is 451.10 g/mol.
Where can I buy AF-399/40851636?
You can request a quote for AF-399/40851636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851636?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.