Hymenocardine
TL;DR: Hymenocardine (CAS 19771-56-3) is a chemical compound with molecular formula C37H50N6O6 and molecular weight 674.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-(dimethylamino)-N-[(2S)-1-[[(4S,7S)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
Also Known As: Hymenocardine, J2.449.263J, (2S,3S)-2-(dimethylamino)-N-[(2S)-1-[[(4S,7S)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide, (2S,3S)-2-(dimethylamino)-N-((1S)-1-(((6S,9S)-6-(1H-indol-3-ylmethyl)-10,10-dimethyl-2,5,8-trioxo-11-oxa-4,7-diazabicyclo(10.2.2)hexadeca-1(14),12,15-trien-9-yl)carbamoyl)-2-methyl-propyl)-3-methyl-pentanamide, (2S,3S)-2-(dimethylamino)-N-[(1S)-1-[[(6S,9S)-6-(1H-indol-3-ylmethyl)-10,10-dimethyl-2,5,8-trioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]carbamoyl]-2-methyl-propyl]-3-methyl-pentanamide
| Molecular Formula | C37H50N6O6 |
|---|---|
| Molecular Weight | 674.38 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 674.3792 |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 19771-56-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)NCC(=O)C2=CC=C(C=C2)OC1(C)C)CC3=CNC4=CC=CC=C43)N(C)C |
| InChIKey | ATQXXRJEZULCTG-DLCFQVRISA-N |
Product Overview
Hymenocardine (CAS 19771-56-3), with molecular formula C37H50N6O6 and molecular weight 674.38 g/mol. IUPAC: (2S,3S)-2-(dimethylamino)-N-[(2S)-1-[[(4S,7S)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide.
Chemical Property Profile of Hymenocardine
Property Insights of Hymenocardine
The XLogP value of 4.8 indicates that Hymenocardine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Hymenocardine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hymenocardine has 5 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 Hymenocardine?
The CAS number of Hymenocardine is 19771-56-3.
What is the molecular formula of Hymenocardine?
The molecular formula of Hymenocardine is C37H50N6O6.
What is the molecular weight of Hymenocardine?
The molecular weight of Hymenocardine is 674.38 g/mol.
Where can I buy Hymenocardine?
You can request a quote for Hymenocardine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hymenocardine?
Yes, KEHONG BIO provides custom synthesis services for Hymenocardine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.