AF-399/15031081
TL;DR: AF-399/15031081 (CAS 314261-47-7) is a chemical compound with molecular formula C23H29N3OS2 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: AF-399/15031081, N-(1-adamantyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(1-adamantyl)-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C23H29N3OS2 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 5.05562 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1752 |
| Heavy Atoms | 29 |
| Complexity | 946.8643 |
Chemical Identifiers
| CAS Number | 314261-47-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC45CC6CC(C4)CC(C6)C5 |
Product Overview
AF-399/15031081 (CAS 314261-47-7), with molecular formula C23H29N3OS2 and molecular weight 427.18 g/mol. IUPAC: N-(1-adamantyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/15031081
Property Insights of AF-399/15031081
The XLogP value of 5.05562 indicates that AF-399/15031081 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-399/15031081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15031081 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-399/15031081?
The CAS number of AF-399/15031081 is 314261-47-7.
What is the molecular formula of AF-399/15031081?
The molecular formula of AF-399/15031081 is C23H29N3OS2.
What is the molecular weight of AF-399/15031081?
The molecular weight of AF-399/15031081 is 427.18 g/mol.
Where can I buy AF-399/15031081?
You can request a quote for AF-399/15031081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031081?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.