Mucronine B
TL;DR: Mucronine B (CAS 38840-26-5) is a chemical compound with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-15-methoxy-12-(methylamino)-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
Also Known As: Mucronine B, J2.771.482J, (2Z,6S,9S,12S)-6-BENZYL-9-[(2S)-BUTAN-2-YL]-15-METHOXY-12-(METHYLAMINO)-4,7,10-TRIAZABICYCLO[12.3.1]OCTADECA-1(18),2,14,16-TETRAENE-5,8,11-TRIONE, (2Z,6S,9S,12S)-15-Methoxy-12-(methylamino)-9-[(S)-1-methylpropyl]-6-benzyl-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione, (2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-15-methoxy-12-(methylamino)-4,7,10-triazabicyclo[12.3.1]octadeca-1(17),2,14(18),15-tetraene-5,8,11-trione
| Molecular Formula | C28H36N4O4 |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 2.1846 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.27365 |
| Heavy Atoms | 36 |
| Complexity | 1086.2122 |
Chemical Identifiers
| CAS Number | 38840-26-5 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N/C=C\C2=CC(=C(C=C2)OC)C[C@@H](C(=O)N1)NC)CC3=CC=CC=C3 |
Product Overview
Mucronine B (CAS 38840-26-5), with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol. IUPAC: (2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-15-methoxy-12-(methylamino)-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione.
Chemical Property Profile of Mucronine B
Property Insights of Mucronine B
The XLogP value of 2.1846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mucronine B. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Mucronine B. Following Lipinski's Rule of Five, Mucronine B has 4 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 Mucronine B?
The CAS number of Mucronine B is 38840-26-5.
What is the molecular formula of Mucronine B?
The molecular formula of Mucronine B is C28H36N4O4.
What is the molecular weight of Mucronine B?
The molecular weight of Mucronine B is 492.27 g/mol.
Where can I buy Mucronine B?
You can request a quote for Mucronine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mucronine B?
Yes, KEHONG BIO provides custom synthesis services for Mucronine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.