Nummularine P
TL;DR: Nummularine P (CAS 110187-25-2) is a chemical compound with molecular formula C29H43N5O6 and molecular weight 557.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(13Z)-16-methoxy-10-(2-methylpropyl)-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 P, (2R)-N-((2R)-1-((3S,7R,10R,13E)-10-((2R)-Butan-2-yl)-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo(13.3.1.0,)nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl)-3-methyl-1-oxobutan-2-yl)-2-(methylamino)propanimidate, (2R)-N-[(2R)-1-[(3S,7R,10R,13E)-10-[(2R)-Butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0,]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanimidate, N-(1-((13Z)-16-methoxy-10-(2-methylpropyl)-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, N-[1-[(13Z)-16-methoxy-10-(2-methylpropyl)-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
| Molecular Formula | C29H43N5O6 |
|---|---|
| Molecular Weight | 557.32 g/mol |
| LogP | 1.4236 |
| Topological Polar Surface Area | 138.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.32135 |
| Heavy Atoms | 40 |
| Complexity | 1120.1318 |
Chemical Identifiers
| CAS Number | 110187-25-2 |
|---|---|
| SMILES | CC(C)CC1C(=O)N/C=C\C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)C)NC(=O)C(C)NC)OC |
Product Overview
Nummularine P (CAS 110187-25-2), with molecular formula C29H43N5O6 and molecular weight 557.32 g/mol. IUPAC: N-[1-[(13Z)-16-methoxy-10-(2-methylpropyl)-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 P
Property Insights of Nummularine P
The XLogP value of 1.4236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nummularine P. The TPSA of 138.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nummularine P. Following Lipinski's Rule of Five, Nummularine P 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 P?
The CAS number of Nummularine P is 110187-25-2.
What is the molecular formula of Nummularine P?
The molecular formula of Nummularine P is C29H43N5O6.
What is the molecular weight of Nummularine P?
The molecular weight of Nummularine P is 557.32 g/mol.
Where can I buy Nummularine P?
You can request a quote for Nummularine P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nummularine P?
Yes, KEHONG BIO provides custom synthesis services for Nummularine P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.