Mucronine A
TL;DR: Mucronine A (CAS 38840-25-4) is a chemical compound with molecular formula C29H38N4O4 and molecular weight 506.29 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]-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
Also Known As: Mucronine A, (2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione, (3S,6S,9S,12Z)-9-benzyl-6-[(2S)-butan-2-yl]-3-(dimethylamino)-17-methoxy-5,8,11-triazabicyclo[12.3.1]octadeca-1(17),12,14(18),15-tetraene-4,7,10-trione, (2Z,6S,9S,12S)-12-(Dimethylamino)-15-methoxy-9-[(S)-1-methylpropyl]-6-benzyl-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetrene-5,8,11-trione, (2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(17),2,14(18),15-tetraene-5,8,11-trione
| Molecular Formula | C29H38N4O4 |
|---|---|
| Molecular Weight | 506.29 g/mol |
| LogP | 2.5268 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.2893 |
| Heavy Atoms | 37 |
| Complexity | 1116.1447 |
Chemical Identifiers
| CAS Number | 38840-25-4 |
|---|---|
| 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)N(C)C)CC3=CC=CC=C3 |
Product Overview
Mucronine A (CAS 38840-25-4), with molecular formula C29H38N4O4 and molecular weight 506.29 g/mol. IUPAC: (2Z,6S,9S,12S)-6-benzyl-9-[(2S)-butan-2-yl]-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione.
Chemical Property Profile of Mucronine A
Property Insights of Mucronine A
The XLogP value of 2.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mucronine A. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Mucronine A. Following Lipinski's Rule of Five, Mucronine A 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 Mucronine A?
The CAS number of Mucronine A is 38840-25-4.
What is the molecular formula of Mucronine A?
The molecular formula of Mucronine A is C29H38N4O4.
What is the molecular weight of Mucronine A?
The molecular weight of Mucronine A is 506.29 g/mol.
Where can I buy Mucronine A?
You can request a quote for Mucronine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mucronine A?
Yes, KEHONG BIO provides custom synthesis services for Mucronine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.