AF-399/40684127
TL;DR: AF-399/40684127 (CAS 315711-72-9) is a chemical compound with molecular formula C18H14ClN3OS and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-chloro-22-thia-2,11,12-triazapentacyclo[12.8.0.03,12.04,9.015,21]docosa-1(14),2,4,6,8,10,15(21)-heptaen-13-one
Also Known As: AF-399/40684127, 10-chloro-22-thia-2,11,12-triazapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,21}]docosa-1(14),2,4(9),5,7,10,15(21)-heptaen-13-one, 15-chloro-7,8,9,10,11,13-hexahydrocyclohepta[1,2-d]phthalazino[2',1'-2,1]pyrim idino[4,5-b]thiophen-12-one, 10-chloro-22-thia-2,11,12-triazapentacyclo[12.8.0.03,12.04,9.015,21]docosa-1(14),2,4,6,8,10,15(21)-heptaen-13-one, 5-chloro-10,11,12,13-tetrahydro-8H,9H-cyclohepta[4',5']thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
| Molecular Formula | C18H14ClN3OS |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 4.3797 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.0546 |
| Heavy Atoms | 24 |
| Complexity | 1177.9913 |
Chemical Identifiers
| CAS Number | 315711-72-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)Cl |
Product Overview
AF-399/40684127 (CAS 315711-72-9), with molecular formula C18H14ClN3OS and molecular weight 355.05 g/mol. IUPAC: 10-chloro-22-thia-2,11,12-triazapentacyclo[12.8.0.03,12.04,9.015,21]docosa-1(14),2,4,6,8,10,15(21)-heptaen-13-one.
Chemical Property Profile of AF-399/40684127
Property Insights of AF-399/40684127
The XLogP value of 4.3797 indicates that AF-399/40684127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, AF-399/40684127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40684127 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40684127?
The CAS number of AF-399/40684127 is 315711-72-9.
What is the molecular formula of AF-399/40684127?
The molecular formula of AF-399/40684127 is C18H14ClN3OS.
What is the molecular weight of AF-399/40684127?
The molecular weight of AF-399/40684127 is 355.05 g/mol.
Where can I buy AF-399/40684127?
You can request a quote for AF-399/40684127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684127?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.