Discarine B
TL;DR: Discarine B (CAS 36211-11-7) 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.
2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
Also Known As: Discarine B, 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide, Pentanamide, 2-(dimethylamino)-N-(7-(1H-indol-3-ylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-3-methyl-, (3R-(3R*,4S*(2S*,3R*),7S*))-, 2-(dimethylamino)-N-[(2Z)-6-(1H-indol-3-ylmethyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methylpentanamide, RefChem:134902
| 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 | 36211-11-7 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC3=CNC4=CC=CC=C43)C(C)C)N(C)C |
Product Overview
Discarine B (CAS 36211-11-7), with molecular formula C33H43N5O4 and molecular weight 573.33 g/mol. IUPAC: 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide.
Chemical Property Profile of Discarine B
Property Insights of Discarine B
The XLogP value of 3.8604 indicates that Discarine B 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 B. Following Lipinski's Rule of Five, Discarine B 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 B?
The CAS number of Discarine B is 36211-11-7.
What is the molecular formula of Discarine B?
The molecular formula of Discarine B is C33H43N5O4.
What is the molecular weight of Discarine B?
The molecular weight of Discarine B is 573.33 g/mol.
Where can I buy Discarine B?
You can request a quote for Discarine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Discarine B?
Yes, KEHONG BIO provides custom synthesis services for Discarine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.