Discarine A
TL;DR: Discarine A (CAS 36211-12-8) is a chemical compound with molecular formula C33H43N5O4 and molecular weight 573.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(10Z)-7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide
Also Known As: Discarine A, WaltherineB, Amphibine A, N-[(10E)-7-Butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide, 1H-Indole-3-propanamide, alpha-(dimethylamino)-N-(3-(1-methylethyl)-7-(1-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3R-(3R*,4S*(S*),7S*(R*)))-
| Molecular Formula | C33H43N5O4 |
|---|---|
| Molecular Weight | 573.33 g/mol |
| LogP | 3.8604 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 573.3315 |
| Heavy Atoms | 42 |
| Complexity | 1411.3217 |
Chemical Identifiers
| CAS Number | 36211-12-8 |
|---|---|
| SMILES | CCC(C)C1C(=O)N/C=C\C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CNC4=CC=CC=C43)N(C)C)C(C)C |
Product Overview
Discarine A (CAS 36211-12-8), with molecular formula C33H43N5O4 and molecular weight 573.33 g/mol. IUPAC: N-[(10Z)-7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of Discarine A
Property Insights of Discarine A
The XLogP value of 3.8604 indicates that Discarine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Discarine A. Following Lipinski's Rule of Five, Discarine A has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Discarine A?
The CAS number of Discarine A is 36211-12-8.
What is the molecular formula of Discarine A?
The molecular formula of Discarine A is C33H43N5O4.
What is the molecular weight of Discarine A?
The molecular weight of Discarine A is 573.33 g/mol.
Where can I buy Discarine A?
You can request a quote for Discarine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Discarine A?
Yes, KEHONG BIO provides custom synthesis services for Discarine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.