AF-399/41178770
TL;DR: AF-399/41178770 (CAS 496027-72-6) is a chemical compound with molecular formula C16H12Br2ClN3OS2 and molecular weight 518.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dibromo-4-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: AF-399/41178770, N-(2,6-dibromo-4-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide, N-(2,6-dibromo-4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(2,6-dibromo-4-chlorophenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C16H12Br2ClN3OS2 |
|---|---|
| Molecular Weight | 518.85 g/mol |
| LogP | 6.21734 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.8477 |
| Heavy Atoms | 25 |
| Complexity | 954.4085 |
Chemical Identifiers
| CAS Number | 496027-72-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3Br)Cl)Br)C |
Product Overview
AF-399/41178770 (CAS 496027-72-6), with molecular formula C16H12Br2ClN3OS2 and molecular weight 518.85 g/mol. IUPAC: N-(2,6-dibromo-4-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/41178770
Property Insights of AF-399/41178770
The XLogP value of 6.21734 indicates that AF-399/41178770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AF-399/41178770 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41178770 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41178770?
The CAS number of AF-399/41178770 is 496027-72-6.
What is the molecular formula of AF-399/41178770?
The molecular formula of AF-399/41178770 is C16H12Br2ClN3OS2.
What is the molecular weight of AF-399/41178770?
The molecular weight of AF-399/41178770 is 518.85 g/mol.
Where can I buy AF-399/41178770?
You can request a quote for AF-399/41178770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178770?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.