Nafpenzal
TL;DR: Nafpenzal (CAS 78232-17-4) is a chemical compound with molecular formula C79H126N18Na2O45S5 and molecular weight 2252.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;bis(2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine);(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;sulfuric acid
Also Known As: Nafpenzal, disodium;2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;sulfuric acid, D-Streptamine, O-2-deoxy--2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with, disodium; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; sulfuric acid
| Molecular Formula | C79H126N18Na2O45S5 |
|---|---|
| Molecular Weight | 2252.65 g/mol |
| LogP | -24.0106 |
| Topological Polar Surface Area | 1170.0 Ų |
| Hydrogen Bond Donors | 34 |
| Hydrogen Bond Acceptors | 53 |
| Rotatable Bonds | 25 |
| Exact Mass | 2252.6523 |
| Heavy Atoms | 149 |
| Complexity | 2210.0 |
Chemical Identifiers
| CAS Number | 78232-17-4 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.[Na+].[Na+] |
| InChIKey | RHWGKUMGNOQCBA-XXQRSETKSA-L |
Product Overview
Nafpenzal (CAS 78232-17-4), with molecular formula C79H126N18Na2O45S5 and molecular weight 2252.65 g/mol. IUPAC: disodium;bis(2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine);(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;sulfuric acid.
Chemical Property Profile of Nafpenzal
Property Insights of Nafpenzal
The XLogP value of -24.0106 indicates that Nafpenzal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1170.0 Ų indicates high polarity, suggesting Nafpenzal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nafpenzal has 34 hydrogen bond donor(s) and 53 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nafpenzal?
The CAS number of Nafpenzal is 78232-17-4.
What is the molecular formula of Nafpenzal?
The molecular formula of Nafpenzal is C79H126N18Na2O45S5.
What is the molecular weight of Nafpenzal?
The molecular weight of Nafpenzal is 2252.65 g/mol.
Where can I buy Nafpenzal?
You can request a quote for Nafpenzal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nafpenzal?
Yes, KEHONG BIO provides custom synthesis services for Nafpenzal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.