AB00490338-03
TL;DR: AB00490338-03 (CAS 852170-08-2) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: AB00490338-03, F0654-0198, N-benzyl-2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide, N-benzyl-2-((2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-benzyl-2-({2-ethyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 0.9981 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 1138.2448 |
Chemical Identifiers
| CAS Number | 852170-08-2 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
AB00490338-03 (CAS 852170-08-2), with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol. IUPAC: N-benzyl-2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of AB00490338-03
Property Insights of AB00490338-03
The XLogP value of 0.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00490338-03. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490338-03. Following Lipinski's Rule of Five, AB00490338-03 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 AB00490338-03?
The CAS number of AB00490338-03 is 852170-08-2.
What is the molecular formula of AB00490338-03?
The molecular formula of AB00490338-03 is C19H21N5O3S.
What is the molecular weight of AB00490338-03?
The molecular weight of AB00490338-03 is 399.14 g/mol.
Where can I buy AB00490338-03?
You can request a quote for AB00490338-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00490338-03?
Yes, KEHONG BIO provides custom synthesis services for AB00490338-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.