AB00434412-03
TL;DR: AB00434412-03 (CAS 863002-46-4) is a chemical compound with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: AB00434412-03, F0654-0329, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,8-dimethyl-5,7-dioxo-2-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
| Molecular Formula | C21H23N5O5S |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 1.1169 |
| Topological Polar Surface Area | 117.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.142 |
| Heavy Atoms | 32 |
| Complexity | 1316.6489 |
Chemical Identifiers
| CAS Number | 863002-46-4 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C |
Product Overview
AB00434412-03 (CAS 863002-46-4), with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of AB00434412-03
Property Insights of AB00434412-03
The XLogP value of 1.1169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00434412-03. The TPSA of 117.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434412-03. Following Lipinski's Rule of Five, AB00434412-03 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 AB00434412-03?
The CAS number of AB00434412-03 is 863002-46-4.
What is the molecular formula of AB00434412-03?
The molecular formula of AB00434412-03 is C21H23N5O5S.
What is the molecular weight of AB00434412-03?
The molecular weight of AB00434412-03 is 457.14 g/mol.
Where can I buy AB00434412-03?
You can request a quote for AB00434412-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434412-03?
Yes, KEHONG BIO provides custom synthesis services for AB00434412-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.