F1601-0077
TL;DR: F1601-0077 (CAS 865655-43-2) is a chemical compound with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: F1601-0077, 3-(4-chlorophenyl)-1-(4-methylbenzyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 4-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7)-diene-3,5-dione, 4-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione, 3-(4-chlorophenyl)-1-(4-methylbenzyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C25H23ClN2O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.49292 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.11688 |
| Heavy Atoms | 31 |
| Complexity | 1379.0475 |
Chemical Identifiers
| CAS Number | 865655-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C4=C(S3)CCCCC4)C(=O)N(C2=O)C5=CC=C(C=C5)Cl |
Product Overview
F1601-0077 (CAS 865655-43-2), with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol. IUPAC: 4-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of F1601-0077
Property Insights of F1601-0077
The XLogP value of 5.49292 indicates that F1601-0077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, F1601-0077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1601-0077 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0077?
The CAS number of F1601-0077 is 865655-43-2.
What is the molecular formula of F1601-0077?
The molecular formula of F1601-0077 is C25H23ClN2O2S.
What is the molecular weight of F1601-0077?
The molecular weight of F1601-0077 is 450.12 g/mol.
Where can I buy F1601-0077?
You can request a quote for F1601-0077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0077?
Yes, KEHONG BIO provides custom synthesis services for F1601-0077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.