Nummularine B
TL;DR: Nummularine B (CAS 53947-96-9) is a chemical compound with molecular formula C32H41N5O6 and molecular weight 591.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
Also Known As: Nummularine B, Daechuine S27, N-Demethylamphibine H, Propanamide, 2-(methylamino)-N-(2-methyl-1-((3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-13,16-dioxo-14-(phenylmethyl)-5,9-metheno-9H-pyrrolo(3,2-b)(1,5,8)oxadiazacyclopentadecin-1(2H)-yl)carbonyl)propyl)-
| Molecular Formula | C32H41N5O6 |
|---|---|
| Molecular Weight | 591.31 g/mol |
| LogP | 1.6202 |
| Topological Polar Surface Area | 138.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 591.30566 |
| Heavy Atoms | 43 |
| Complexity | 1347.0135 |
Chemical Identifiers
| CAS Number | 53947-96-9 |
|---|---|
| SMILES | CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C\C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)NC |
Product Overview
Nummularine B (CAS 53947-96-9), with molecular formula C32H41N5O6 and molecular weight 591.31 g/mol. IUPAC: N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.
Chemical Property Profile of Nummularine B
Property Insights of Nummularine B
The XLogP value of 1.6202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nummularine B. The TPSA of 138.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nummularine B. Following Lipinski's Rule of Five, Nummularine B has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nummularine B?
The CAS number of Nummularine B is 53947-96-9.
What is the molecular formula of Nummularine B?
The molecular formula of Nummularine B is C32H41N5O6.
What is the molecular weight of Nummularine B?
The molecular weight of Nummularine B is 591.31 g/mol.
Where can I buy Nummularine B?
You can request a quote for Nummularine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nummularine B?
Yes, KEHONG BIO provides custom synthesis services for Nummularine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.