BAS 00513051
TL;DR: BAS 00513051 (CAS 364054-23-9) is a chemical compound with molecular formula C20H23N7O6 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimorpholin-4-yl-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine
Also Known As: BAS 00513051, 2,6-dimorpholin-4-yl-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine, 7-nitro-1,3-benzodioxole-5-carbaldehyde (2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazone, 4-[4-(MORPHOLIN-4-YL)-6-[(2E)-2-[(7-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]HYDRAZIN-1-YL]PYRIMIDIN-2-YL]MORPHOLINE
| Molecular Formula | C20H23N7O6 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 1.2327 |
| Topological Polar Surface Area | 136.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.171 |
| Heavy Atoms | 33 |
| Complexity | 1017.1893 |
Chemical Identifiers
| CAS Number | 364054-23-9 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=C2)N/N=C/C3=CC(=C4C(=C3)OCO4)[N+](=O)[O-])N5CCOCC5 |
Product Overview
BAS 00513051 (CAS 364054-23-9), with molecular formula C20H23N7O6 and molecular weight 457.17 g/mol. IUPAC: 2,6-dimorpholin-4-yl-N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine.
Chemical Property Profile of BAS 00513051
Property Insights of BAS 00513051
The XLogP value of 1.2327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00513051. The TPSA of 136.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00513051. Following Lipinski's Rule of Five, BAS 00513051 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00513051?
The CAS number of BAS 00513051 is 364054-23-9.
What is the molecular formula of BAS 00513051?
The molecular formula of BAS 00513051 is C20H23N7O6.
What is the molecular weight of BAS 00513051?
The molecular weight of BAS 00513051 is 457.17 g/mol.
Where can I buy BAS 00513051?
You can request a quote for BAS 00513051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513051?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.