AB00431360-09
TL;DR: AB00431360-09 (CAS 852168-34-4) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate
Also Known As: AB00431360-09, F0654-0063, ethyl 4-[[2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate, 4-[[1-oxo-2-[(1,3,7-trimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester, 4-[[2-[(2,4-diketo-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetyl]amino]benzoic acid ethyl ester
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 1.24312 |
| Topological Polar Surface Area | 125.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1280.3358 |
Chemical Identifiers
| CAS Number | 852168-34-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C |
Product Overview
AB00431360-09 (CAS 852168-34-4), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: ethyl 4-[[2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of AB00431360-09
Property Insights of AB00431360-09
The XLogP value of 1.24312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431360-09. The TPSA of 125.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431360-09. Following Lipinski's Rule of Five, AB00431360-09 has 1 hydrogen bond donor(s) and 8 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 AB00431360-09?
The CAS number of AB00431360-09 is 852168-34-4.
What is the molecular formula of AB00431360-09?
The molecular formula of AB00431360-09 is C20H21N5O5S.
What is the molecular weight of AB00431360-09?
The molecular weight of AB00431360-09 is 443.13 g/mol.
Where can I buy AB00431360-09?
You can request a quote for AB00431360-09 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431360-09?
Yes, KEHONG BIO provides custom synthesis services for AB00431360-09 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.