3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone
TL;DR: 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone (CAS 70789-47-8) is a chemical compound with molecular formula C65H87FN12O17 and molecular weight 1326.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(fluoromethyl)-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 D 3-(fluoromethyl)oxazinone, ACTINOMYCIN D 3-(FLUOROMETHYL) OXAZINONE, 2H,4-Oxazino[3,2-b]phenoxazine, L-valine deriv., 2H,6H-1,4-Oxazino[3,2-b]phenoxazine, L-valine deriv., 3-(fluoromethyl)-10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-tr
| Molecular Formula | C65H87FN12O17 |
|---|---|
| Molecular Weight | 1326.63 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 1326.6296 |
| Heavy Atoms | 95 |
| Complexity | 3040.0 |
Chemical Identifiers
| CAS Number | 70789-47-8 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)CF)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 | KWCGHUYEZFFDFE-UHFFFAOYSA-N |
Product Overview
3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone (CAS 70789-47-8), with molecular formula C65H87FN12O17 and molecular weight 1326.63 g/mol. IUPAC: 3-(fluoromethyl)-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 D 3-(fluoromethyl)oxazinone
Property Insights of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone
The XLogP value of 4.8 indicates that 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone 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 D 3-(fluoromethyl)oxazinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone has 5 hydrogen bond donor(s) and 20 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 D 3-(fluoromethyl)oxazinone?
The CAS number of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone is 70789-47-8.
What is the molecular formula of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone?
The molecular formula of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone is C65H87FN12O17.
What is the molecular weight of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone?
The molecular weight of 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone is 1326.63 g/mol.
Where can I buy 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone?
You can request a quote for 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone 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 D 3-(fluoromethyl)oxazinone?
Yes, KEHONG BIO provides custom synthesis services for 3,10-Dihydroactinomycin D 3-(fluoromethyl)oxazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.