AF-399/40684377
TL;DR: AF-399/40684377 (CAS 379243-84-2) is a chemical compound with molecular formula C20H20N4OS3 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: AF-399/40684377, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide, 2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N-(3-cyano(4,5,6,7,8-pentah ydrocyclohepta[1,2-d]thiophen-2-yl))acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide
| Molecular Formula | C20H20N4OS3 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 5.24102 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.07993 |
| Heavy Atoms | 28 |
| Complexity | 1093.24 |
Chemical Identifiers
| CAS Number | 379243-84-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N)C |
Product Overview
AF-399/40684377 (CAS 379243-84-2), with molecular formula C20H20N4OS3 and molecular weight 428.08 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/40684377
Property Insights of AF-399/40684377
The XLogP value of 5.24102 indicates that AF-399/40684377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40684377. Following Lipinski's Rule of Five, AF-399/40684377 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-399/40684377?
The CAS number of AF-399/40684377 is 379243-84-2.
What is the molecular formula of AF-399/40684377?
The molecular formula of AF-399/40684377 is C20H20N4OS3.
What is the molecular weight of AF-399/40684377?
The molecular weight of AF-399/40684377 is 428.08 g/mol.
Where can I buy AF-399/40684377?
You can request a quote for AF-399/40684377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684377?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.