Nummularine F
TL;DR: Nummularine F (CAS 58775-98-7) is a chemical compound with molecular formula C23H32N4O4 and molecular weight 428.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-6-[2-(dimethylamino)acetyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
Also Known As: Nummularine F, J2.771.531A, (3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-6-[2-(dimethylamino)acetyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione, (1S,11S,14S)-15-[(Dimethylamino)acetyl]-11-[(S)-1-methylpropyl]-3,6-etheno-2-oxa-9,12,15-triazabicyclo[12.3.0]heptadecane-3,5,7-triene-10,13-dione, (3aS,9Z,13S,15aS)-13-[(2S)-Butan-2-yl]-1-[(dimethylamino)acetyl]-2,3,3a,13,14,15a-hexahydro-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione
| Molecular Formula | C23H32N4O4 |
|---|---|
| Molecular Weight | 428.24 g/mol |
| LogP | 1.2279 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.24237 |
| Heavy Atoms | 31 |
| Complexity | 836.48315 |
Chemical Identifiers
| CAS Number | 58775-98-7 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]3CCN([C@@H]3C(=O)N1)C(=O)CN(C)C |
Product Overview
Nummularine F (CAS 58775-98-7), with molecular formula C23H32N4O4 and molecular weight 428.24 g/mol. IUPAC: (3S,7S,10S,13Z)-10-[(2S)-butan-2-yl]-6-[2-(dimethylamino)acetyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione.
Chemical Property Profile of Nummularine F
Property Insights of Nummularine F
The XLogP value of 1.2279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nummularine F. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Nummularine F. Following Lipinski's Rule of Five, Nummularine F has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nummularine F?
The CAS number of Nummularine F is 58775-98-7.
What is the molecular formula of Nummularine F?
The molecular formula of Nummularine F is C23H32N4O4.
What is the molecular weight of Nummularine F?
The molecular weight of Nummularine F is 428.24 g/mol.
Where can I buy Nummularine F?
You can request a quote for Nummularine F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nummularine F?
Yes, KEHONG BIO provides custom synthesis services for Nummularine F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.