NCIOpen2_003553
TL;DR: NCIOpen2_003553 (CAS 89711-70-6) is a chemical compound with molecular formula C5H10N10O4 and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propan-2-ylideneamino]-1-nitroguanidine
Also Known As: NCIOpen2_003553, 2-[(E)-[(1E)-1-[(E)-[amino-(2,2-dihydroxyhydrazinyl)methylid
| Molecular Formula | C5H10N10O4 |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | -2.4599 |
| Topological Polar Surface Area | 211.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.08865 |
| Heavy Atoms | 19 |
| Complexity | 464.54047 |
Chemical Identifiers
| CAS Number | 89711-70-6 |
|---|---|
| SMILES | CC(=N/N=C(\N)/N[N+](=O)[O-])C=N/N=C(\N)/N[N+](=O)[O-] |
Product Overview
NCIOpen2_003553 (CAS 89711-70-6), with molecular formula C5H10N10O4 and molecular weight 274.09 g/mol. IUPAC: 2-[1-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propan-2-ylideneamino]-1-nitroguanidine.
Chemical Property Profile of NCIOpen2_003553
Property Insights of NCIOpen2_003553
The XLogP value of -2.4599 indicates that NCIOpen2_003553 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.82 Ų indicates high polarity, suggesting NCIOpen2_003553 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_003553 has 4 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 NCIOpen2_003553?
The CAS number of NCIOpen2_003553 is 89711-70-6.
What is the molecular formula of NCIOpen2_003553?
The molecular formula of NCIOpen2_003553 is C5H10N10O4.
What is the molecular weight of NCIOpen2_003553?
The molecular weight of NCIOpen2_003553 is 274.09 g/mol.
Where can I buy NCIOpen2_003553?
You can request a quote for NCIOpen2_003553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_003553?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_003553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.