AF-399/15335055
TL;DR: AF-399/15335055 (CAS 379249-74-8) is a chemical compound with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/15335055, N-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, 2-{[3-allyl-5-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide, 2-{[3-allyl-5-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]thio}-N-(1,3-benzodioxol-5-yl)acetamide
| Molecular Formula | C25H21N3O4S2 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 5.07892 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.09735 |
| Heavy Atoms | 34 |
| Complexity | 1457.79 |
Chemical Identifiers
| CAS Number | 379249-74-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5)CC=C |
Product Overview
AF-399/15335055 (CAS 379249-74-8), with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/15335055
Property Insights of AF-399/15335055
The XLogP value of 5.07892 indicates that AF-399/15335055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335055. Following Lipinski's Rule of Five, AF-399/15335055 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15335055?
The CAS number of AF-399/15335055 is 379249-74-8.
What is the molecular formula of AF-399/15335055?
The molecular formula of AF-399/15335055 is C25H21N3O4S2.
What is the molecular weight of AF-399/15335055?
The molecular weight of AF-399/15335055 is 491.10 g/mol.
Where can I buy AF-399/15335055?
You can request a quote for AF-399/15335055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335055?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.