AF-399/40634401
TL;DR: AF-399/40634401 (CAS 379249-16-8) is a chemical compound with molecular formula C27H25N5O3S2 and molecular weight 531.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AF-399/40634401, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]acetamide
| Molecular Formula | C27H25N5O3S2 |
|---|---|
| Molecular Weight | 531.14 g/mol |
| LogP | 4.59266 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.1399 |
| Heavy Atoms | 37 |
| Complexity | 1748.6935 |
Chemical Identifiers
| CAS Number | 379249-16-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C |
Product Overview
AF-399/40634401 (CAS 379249-16-8), with molecular formula C27H25N5O3S2 and molecular weight 531.14 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/40634401
Property Insights of AF-399/40634401
The XLogP value of 4.59266 indicates that AF-399/40634401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40634401. Following Lipinski's Rule of Five, AF-399/40634401 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-399/40634401?
The CAS number of AF-399/40634401 is 379249-16-8.
What is the molecular formula of AF-399/40634401?
The molecular formula of AF-399/40634401 is C27H25N5O3S2.
What is the molecular weight of AF-399/40634401?
The molecular weight of AF-399/40634401 is 531.14 g/mol.
Where can I buy AF-399/40634401?
You can request a quote for AF-399/40634401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40634401?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40634401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.