NF 213
TL;DR: NF 213 (CAS 104869-30-9) is a chemical compound with molecular formula C51H40N6O23S6 and molecular weight 1296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[3-[[4-methyl-3-[[2-methyl-5-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
Also Known As: NF 213, 1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino-3,1-phenylenecarbonylimino]]bis-, 8-[[3-[[4-methyl-3-[[2-methyl-5-[[3-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid, 8-[[3-[[4-methyl-3-[[2-methyl-5-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
| Molecular Formula | C51H40N6O23S6 |
|---|---|
| Molecular Weight | 1296.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 534.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 16 |
| Exact Mass | 1296.0469 |
| Heavy Atoms | 86 |
| Complexity | 3020.0 |
Chemical Identifiers
| CAS Number | 104869-30-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C |
| InChIKey | NLWQKKQJBGDGFP-UHFFFAOYSA-N |
Product Overview
NF 213 (CAS 104869-30-9), with molecular formula C51H40N6O23S6 and molecular weight 1296.05 g/mol. IUPAC: 8-[[3-[[4-methyl-3-[[2-methyl-5-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid.
Chemical Property Profile of NF 213
Property Insights of NF 213
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NF 213. The TPSA of 534.0 Ų indicates high polarity, suggesting NF 213 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NF 213 has 12 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NF 213?
The CAS number of NF 213 is 104869-30-9.
What is the molecular formula of NF 213?
The molecular formula of NF 213 is C51H40N6O23S6.
What is the molecular weight of NF 213?
The molecular weight of NF 213 is 1296.05 g/mol.
Where can I buy NF 213?
You can request a quote for NF 213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NF 213?
Yes, KEHONG BIO provides custom synthesis services for NF 213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.