G856-1181
TL;DR: G856-1181 (CAS 536712-03-5) is a chemical compound with molecular formula C23H16FN3O4S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: G856-1181, F0580-0733, methyl 5-({[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C23H16FN3O4S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.678 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.08456 |
| Heavy Atoms | 32 |
| Complexity | 1518.3782 |
Chemical Identifiers
| CAS Number | 536712-03-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
G856-1181 (CAS 536712-03-5), with molecular formula C23H16FN3O4S and molecular weight 449.08 g/mol. IUPAC: methyl 5-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of G856-1181
Property Insights of G856-1181
The XLogP value of 4.678 indicates that G856-1181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1181. Following Lipinski's Rule of Five, G856-1181 has 1 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 G856-1181?
The CAS number of G856-1181 is 536712-03-5.
What is the molecular formula of G856-1181?
The molecular formula of G856-1181 is C23H16FN3O4S.
What is the molecular weight of G856-1181?
The molecular weight of G856-1181 is 449.08 g/mol.
Where can I buy G856-1181?
You can request a quote for G856-1181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1181?
Yes, KEHONG BIO provides custom synthesis services for G856-1181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.