F1601-0576
TL;DR: F1601-0576 (CAS 866015-85-2) 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-ethylphenyl)-1-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Also Known As: F1601-0576, 3-(4-ethylphenyl)-1-(3-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione, 4-(4-ethylphenyl)-6-[(3-nitrophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione, 3-(4-ethylphenyl)-1-(3-nitrobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 4.6116 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1495.3485 |
Chemical Identifiers
| CAS Number | 866015-85-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-])SC5=C3CCCC5 |
Product Overview
F1601-0576 (CAS 866015-85-2), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: 3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of F1601-0576
Property Insights of F1601-0576
The XLogP value of 4.6116 indicates that F1601-0576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0576. Following Lipinski's Rule of Five, F1601-0576 has 0 hydrogen bond donor(s) and 5 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 F1601-0576?
The CAS number of F1601-0576 is 866015-85-2.
What is the molecular formula of F1601-0576?
The molecular formula of F1601-0576 is C25H23N3O4S.
What is the molecular weight of F1601-0576?
The molecular weight of F1601-0576 is 461.14 g/mol.
Where can I buy F1601-0576?
You can request a quote for F1601-0576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0576?
Yes, KEHONG BIO provides custom synthesis services for F1601-0576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.