AF-399/40885998
TL;DR: AF-399/40885998 (CAS 496022-39-0) is a chemical compound with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: AF-399/40885998, 10-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, F1174-0598, 3-allyl-2-((2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C23H27N3O3S2 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.17244 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.14938 |
| Heavy Atoms | 31 |
| Complexity | 1219.3331 |
Chemical Identifiers
| CAS Number | 496022-39-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
AF-399/40885998 (CAS 496022-39-0), with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol. IUPAC: 10-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of AF-399/40885998
Property Insights of AF-399/40885998
The XLogP value of 4.17244 indicates that AF-399/40885998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40885998. Following Lipinski's Rule of Five, AF-399/40885998 has 0 hydrogen bond donor(s) and 6 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-399/40885998?
The CAS number of AF-399/40885998 is 496022-39-0.
What is the molecular formula of AF-399/40885998?
The molecular formula of AF-399/40885998 is C23H27N3O3S2.
What is the molecular weight of AF-399/40885998?
The molecular weight of AF-399/40885998 is 457.15 g/mol.
Where can I buy AF-399/40885998?
You can request a quote for AF-399/40885998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40885998?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40885998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.