G856-0972
TL;DR: G856-0972 (CAS 536706-04-4) is a chemical compound with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: G856-0972, F0580-0357, methyl 5-({[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C25H21N3O4S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 5.15574 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.12527 |
| Heavy Atoms | 33 |
| Complexity | 1557.9304 |
Chemical Identifiers
| CAS Number | 536706-04-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC)C |
Product Overview
G856-0972 (CAS 536706-04-4), with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol. IUPAC: methyl 5-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of G856-0972
Property Insights of G856-0972
The XLogP value of 5.15574 indicates that G856-0972 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 G856-0972. Following Lipinski's Rule of Five, G856-0972 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of G856-0972?
The CAS number of G856-0972 is 536706-04-4.
What is the molecular formula of G856-0972?
The molecular formula of G856-0972 is C25H21N3O4S.
What is the molecular weight of G856-0972?
The molecular weight of G856-0972 is 459.13 g/mol.
Where can I buy G856-0972?
You can request a quote for G856-0972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0972?
Yes, KEHONG BIO provides custom synthesis services for G856-0972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.