Ceanothine B
TL;DR: Ceanothine B (CAS 19471-43-3) is a chemical compound with molecular formula C29H36N4O4 and molecular weight 504.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide
Also Known As: Ceanothine B, (2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide, (2S)-N-[(2Z,6S,9S,10S)-6-benzyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-methyl-pyrrolidine-2-carboxamide, (2S)-N-((2Z,6S,9S,10S)-6-benzyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo(10.2.2)hexadeca-1(14),2,12,15-tetraen-9-yl)-1-methyl-pyrrolidine-2-carboxamide, (2S)-N-((3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-1-methylpyrrolidine-2-carboxamide
| Molecular Formula | C29H36N4O4 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 2.497 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.27365 |
| Heavy Atoms | 37 |
| Complexity | 1116.4863 |
Chemical Identifiers
| CAS Number | 19471-43-3 |
|---|---|
| SMILES | CC(C)[C@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C\C2=CC=C(O1)C=C2)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C |
Product Overview
Ceanothine B (CAS 19471-43-3), with molecular formula C29H36N4O4 and molecular weight 504.27 g/mol. IUPAC: (2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide.
Chemical Property Profile of Ceanothine B
Property Insights of Ceanothine B
The XLogP value of 2.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ceanothine B. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ceanothine B. Following Lipinski's Rule of Five, Ceanothine B has 3 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 Ceanothine B?
The CAS number of Ceanothine B is 19471-43-3.
What is the molecular formula of Ceanothine B?
The molecular formula of Ceanothine B is C29H36N4O4.
What is the molecular weight of Ceanothine B?
The molecular weight of Ceanothine B is 504.27 g/mol.
Where can I buy Ceanothine B?
You can request a quote for Ceanothine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceanothine B?
Yes, KEHONG BIO provides custom synthesis services for Ceanothine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.