F1601-0512
TL;DR: F1601-0512 (CAS 866015-10-3) is a chemical compound with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(5-formyl-2-methoxyphenyl)methyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: F1601-0512, ethyl 1-(5-formyl-2-methoxybenzyl)-2,4-dioxo-3-phenyl-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate, ethyl 6-[(5-formyl-2-methoxyphenyl)methyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 6-[(5-formyl-2-methoxyphenyl)methyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 1-(5-formyl-2-methoxybenzyl)-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
| Molecular Formula | C27H25N3O6S |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | 3.5979 |
| Topological Polar Surface Area | 99.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1464 |
| Heavy Atoms | 37 |
| Complexity | 1619.3898 |
Chemical Identifiers
| CAS Number | 866015-10-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC(=C4)C=O)OC)C5=CC=CC=C5 |
Product Overview
F1601-0512 (CAS 866015-10-3), with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol. IUPAC: ethyl 6-[(5-formyl-2-methoxyphenyl)methyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of F1601-0512
Property Insights of F1601-0512
The XLogP value of 3.5979 indicates that F1601-0512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.84 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0512. Following Lipinski's Rule of Five, F1601-0512 has 0 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 F1601-0512?
The CAS number of F1601-0512 is 866015-10-3.
What is the molecular formula of F1601-0512?
The molecular formula of F1601-0512 is C27H25N3O6S.
What is the molecular weight of F1601-0512?
The molecular weight of F1601-0512 is 519.15 g/mol.
Where can I buy F1601-0512?
You can request a quote for F1601-0512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0512?
Yes, KEHONG BIO provides custom synthesis services for F1601-0512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.