3,10-dihydroactinomycin D3-ethyloxazinone
TL;DR: 3,10-dihydroactinomycin D3-ethyloxazinone (CAS 70789-46-7) is a chemical compound with molecular formula C66H90N12O17 and molecular weight 1322.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide
Also Known As: 3,10-dihydroactinomycin D3-ethyloxazinone, 3-ethyl-10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide, L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, 1,1'-diamide with 3-ethyl-10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylic acid, L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, 1,1'-diamide with 3-ethyl-10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylic acid 10,5,5
| Molecular Formula | C66H90N12O17 |
|---|---|
| Molecular Weight | 1322.65 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 1322.6547 |
| Heavy Atoms | 95 |
| Complexity | 3030.0 |
Chemical Identifiers
| CAS Number | 70789-46-7 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(C(=C2OC1=O)C)OC4=C(C=CC(=C4N3)C(=O)NC5C(OC(=O)C(N(C(=O)CN(C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)C)C)C(C)C)C)C)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C |
| InChIKey | RMAIMEKFNJQZHF-UHFFFAOYSA-N |
Product Overview
3,10-dihydroactinomycin D3-ethyloxazinone (CAS 70789-46-7), with molecular formula C66H90N12O17 and molecular weight 1322.65 g/mol. IUPAC: 3-ethyl-10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide.
Chemical Property Profile of 3,10-dihydroactinomycin D3-ethyloxazinone
Property Insights of 3,10-dihydroactinomycin D3-ethyloxazinone
The XLogP value of 4.9 indicates that 3,10-dihydroactinomycin D3-ethyloxazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 351.0 Ų indicates high polarity, suggesting 3,10-dihydroactinomycin D3-ethyloxazinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,10-dihydroactinomycin D3-ethyloxazinone has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,10-dihydroactinomycin D3-ethyloxazinone?
The CAS number of 3,10-dihydroactinomycin D3-ethyloxazinone is 70789-46-7.
What is the molecular formula of 3,10-dihydroactinomycin D3-ethyloxazinone?
The molecular formula of 3,10-dihydroactinomycin D3-ethyloxazinone is C66H90N12O17.
What is the molecular weight of 3,10-dihydroactinomycin D3-ethyloxazinone?
The molecular weight of 3,10-dihydroactinomycin D3-ethyloxazinone is 1322.65 g/mol.
Where can I buy 3,10-dihydroactinomycin D3-ethyloxazinone?
You can request a quote for 3,10-dihydroactinomycin D3-ethyloxazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,10-dihydroactinomycin D3-ethyloxazinone?
Yes, KEHONG BIO provides custom synthesis services for 3,10-dihydroactinomycin D3-ethyloxazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.