AF-399/40634471
TL;DR: AF-399/40634471 (CAS 374693-53-5) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)oxy]phenyl]benzamide
Also Known As: AF-399/40634471, 3,4-Dimethoxy-N-[4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)oxy]phenyl]benzamide, 3,4-dimethoxy-N-[4-[(3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-yl)oxy]phenyl]benzamide, 3,4-dimethoxy-N-[4-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}oxy)phenyl]benzamide, 3,4-dimethoxy-N-{4-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]phenyl}benzamide
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 5.55022 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1348.2736 |
Chemical Identifiers
| CAS Number | 374693-53-5 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)OC4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)OC)OC |
Product Overview
AF-399/40634471 (CAS 374693-53-5), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: 3,4-dimethoxy-N-[4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)oxy]phenyl]benzamide.
Chemical Property Profile of AF-399/40634471
Property Insights of AF-399/40634471
The XLogP value of 5.55022 indicates that AF-399/40634471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40634471. Following Lipinski's Rule of Five, AF-399/40634471 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-399/40634471?
The CAS number of AF-399/40634471 is 374693-53-5.
What is the molecular formula of AF-399/40634471?
The molecular formula of AF-399/40634471 is C25H23N3O4S.
What is the molecular weight of AF-399/40634471?
The molecular weight of AF-399/40634471 is 461.14 g/mol.
Where can I buy AF-399/40634471?
You can request a quote for AF-399/40634471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40634471?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40634471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.