![N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) structure](/static/products/433/4336-46-3.png)
N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)
TL;DR: N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) (CAS 4336-46-3) is a chemical compound with molecular formula C13H17N7O12 and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea;2,4,6-trinitrophenol
Also Known As: 1-(Diaminomethylene)-3-(beta-D-ribofuranosyl)urea Picrate, N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1), 1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea; 2,4,6-trinitrophenol
| Molecular Formula | C13H17N7O12 |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | -2.4748 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.0935 |
| Heavy Atoms | 32 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 4336-46-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C(C1C(C(C(O1)NC(=O)N=C(N)N)O)O)O |
| InChIKey | RTONSOUBEUPEOS-UHFFFAOYSA-N |
Product Overview
N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) (CAS 4336-46-3), with molecular formula C13H17N7O12 and molecular weight 463.09 g/mol. IUPAC: 1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea;2,4,6-trinitrophenol.
Chemical Property Profile of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)
Property Insights of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)
The XLogP value of -2.4748 indicates that N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) has 7 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 N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)?
The CAS number of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) is 4336-46-3.
What is the molecular formula of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)?
The molecular formula of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) is C13H17N7O12.
What is the molecular weight of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)?
The molecular weight of N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) is 463.09 g/mol.
Where can I buy N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)?
You can request a quote for N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-[(Diaminomethylidene)carbamoyl]pentofuranosylamine--2,4,6-trinitrophenol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.