3,10-Dihydroactinomycin D 3-methyloxazinone
TL;DR: 3,10-Dihydroactinomycin D 3-methyloxazinone (CAS 6638-40-0) is a chemical compound with molecular formula C65H88N12O17 and molecular weight 1308.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,10,12-trimethyl-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]-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide
Also Known As: 3,10-Dihydroactinomycin D 3-methyloxazinone, 3,10,12-trimethyl-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]-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide, 3,10,12-trimethyl-2-oxo-n,n'-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-2h,12ah-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide, 2H,6H-1,4-Oxazino(3,2-b)phenoxazine-5,7-dicarboxamide, N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetraazacyclohexadecin-10-yl)-3,10,12-trimethyl-2-oxo-, stereoisomer, N,N'-Bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetraazacyclohexadecin-10-yl)-3,10,12-trimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxamide stereoisomer
| Molecular Formula | C65H88N12O17 |
|---|---|
| Molecular Weight | 1308.64 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 1308.639 |
| Heavy Atoms | 94 |
| Complexity | 3250.0 |
Chemical Identifiers
| CAS Number | 6638-40-0 |
|---|---|
| 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(C6C(=C(C5=N4)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)N=C(C(=O)O6)C)C |
| InChIKey | PSODHWOVRHSCFX-UHFFFAOYSA-N |
Product Overview
3,10-Dihydroactinomycin D 3-methyloxazinone (CAS 6638-40-0), with molecular formula C65H88N12O17 and molecular weight 1308.64 g/mol. IUPAC: 3,10,12-trimethyl-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]-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide.
Chemical Property Profile of 3,10-Dihydroactinomycin D 3-methyloxazinone
Property Insights of 3,10-Dihydroactinomycin D 3-methyloxazinone
The XLogP value of 3.1 indicates that 3,10-Dihydroactinomycin D 3-methyloxazinone 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-methyloxazinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,10-Dihydroactinomycin D 3-methyloxazinone has 4 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 D 3-methyloxazinone?
The CAS number of 3,10-Dihydroactinomycin D 3-methyloxazinone is 6638-40-0.
What is the molecular formula of 3,10-Dihydroactinomycin D 3-methyloxazinone?
The molecular formula of 3,10-Dihydroactinomycin D 3-methyloxazinone is C65H88N12O17.
What is the molecular weight of 3,10-Dihydroactinomycin D 3-methyloxazinone?
The molecular weight of 3,10-Dihydroactinomycin D 3-methyloxazinone is 1308.64 g/mol.
Where can I buy 3,10-Dihydroactinomycin D 3-methyloxazinone?
You can request a quote for 3,10-Dihydroactinomycin D 3-methyloxazinone 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-methyloxazinone?
Yes, KEHONG BIO provides custom synthesis services for 3,10-Dihydroactinomycin D 3-methyloxazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.