AF-399/15128390
TL;DR: AF-399/15128390 (CAS 315681-99-3) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/15128390, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 5.21674 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1250.0078 |
Chemical Identifiers
| CAS Number | 315681-99-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)N2CC=C |
Product Overview
AF-399/15128390 (CAS 315681-99-3), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/15128390
Property Insights of AF-399/15128390
The XLogP value of 5.21674 indicates that AF-399/15128390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128390. Following Lipinski's Rule of Five, AF-399/15128390 has 0 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-399/15128390?
The CAS number of AF-399/15128390 is 315681-99-3.
What is the molecular formula of AF-399/15128390?
The molecular formula of AF-399/15128390 is C22H21N3O3S2.
What is the molecular weight of AF-399/15128390?
The molecular weight of AF-399/15128390 is 439.10 g/mol.
Where can I buy AF-399/15128390?
You can request a quote for AF-399/15128390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128390?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.