Triacetyldynemicin A
TL;DR: Triacetyldynemicin A (CAS 124425-50-9) is a chemical compound with molecular formula C35H25NO12 and molecular weight 651.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21,24,28-triacetyloxy-7-methoxy-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,17,20,22,24,27-heptaen-9,13-diyne-6-carboxylic acid
Also Known As: Triacetyldynemicin A, 21,24,28-Triacetyloxy-7-methoxy-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,17,20,22,24,27-heptaen-9,13-diyne-6-carboxylic acid, (1S-(1R*,4S*,4aS*,14R*,14aR*))-6,8,11-Tris(acetyloxy)-1,4,7,12,13,14-hexahydro-3-methoxy-1-methyl-7,12-dioxo-4a,14a-epoxy-4,14-(3)hexene(1,5)diynonaphtho(2,3-c)phenanthridine-2-carboxylic acid, 4a,14a-Epoxy-4,14-(3)hexene(1,5)diynonaphtho(2,3-c)phenanthridine-2-carboxylic acid, 6,8,11-tris(acetyloxy)-1,4,7,12,13,14-hexahydro-3-methoxy-1-methyl-7,12-dioxo-, (1S-(1R*,4S*,4aS*,14R*,14aR*))-, 6,8,11-Tris(acetyloxy)-3-methoxy-7,12-dioxo-1,4,7,12,13,14-hexahydro-4a,14a-epoxy-4,14-hexa[1,5]ynonaphtho[2,3-c]phenanthridine-2-carboxylic acid
| Molecular Formula | C35H25NO12 |
|---|---|
| Molecular Weight | 651.14 g/mol |
| LogP | 2.8019 |
| Topological Polar Surface Area | 184.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 651.1377 |
| Heavy Atoms | 48 |
| Complexity | 2121.3096 |
Chemical Identifiers
| CAS Number | 124425-50-9 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=C(C=C1)OC(=O)C)C(=O)C3=C4C(=CC(=C3C2=O)OC(=O)C)C56C7C#CCCC#CC(C5(O6)CC(=C7OC)C(=O)O)N4 |
Product Overview
Triacetyldynemicin A (CAS 124425-50-9), with molecular formula C35H25NO12 and molecular weight 651.14 g/mol. IUPAC: 21,24,28-triacetyloxy-7-methoxy-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,17,20,22,24,27-heptaen-9,13-diyne-6-carboxylic acid.
Chemical Property Profile of Triacetyldynemicin A
Property Insights of Triacetyldynemicin A
The XLogP value of 2.8019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triacetyldynemicin A. The TPSA of 184.13 Ų indicates high polarity, suggesting Triacetyldynemicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triacetyldynemicin A has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triacetyldynemicin A?
The CAS number of Triacetyldynemicin A is 124425-50-9.
What is the molecular formula of Triacetyldynemicin A?
The molecular formula of Triacetyldynemicin A is C35H25NO12.
What is the molecular weight of Triacetyldynemicin A?
The molecular weight of Triacetyldynemicin A is 651.14 g/mol.
Where can I buy Triacetyldynemicin A?
You can request a quote for Triacetyldynemicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triacetyldynemicin A?
Yes, KEHONG BIO provides custom synthesis services for Triacetyldynemicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.