Actinomycin III
TL;DR: Actinomycin III (CAS 1402-50-2) is a chemical compound with molecular formula C60H84N12O16 and molecular weight 1228.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,6-dimethyl-3-oxo-1-N-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-N-[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]phenoxazine-1,9-dicarboxamide
Also Known As: ACTINOMYCIN III, 2-amino-4,6-dimethyl-3-oxo-1-N-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-N-[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]phenoxazine-1,9-dicarboxamide, 2-Amino-4,6-dimethyl-3-oxo-N~1~-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-N~9~-[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]-3H-phenoxazine-1,9-dicarboxamide
| Molecular Formula | C60H84N12O16 |
|---|---|
| Molecular Weight | 1228.61 g/mol |
| LogP | 0.19304 |
| Topological Polar Surface Area | 359.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 1228.6128 |
| Heavy Atoms | 88 |
| Complexity | 3323.8013 |
Chemical Identifiers
| CAS Number | 1402-50-2 |
|---|---|
| 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(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)CN(C(=O)C(NC6=O)C(C)C)C)C)C)C(C)C)C)N)C |
Product Overview
Actinomycin III (CAS 1402-50-2), with molecular formula C60H84N12O16 and molecular weight 1228.61 g/mol. IUPAC: 2-amino-4,6-dimethyl-3-oxo-1-N-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-N-[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]phenoxazine-1,9-dicarboxamide.
Chemical Property Profile of Actinomycin III
Property Insights of Actinomycin III
The XLogP value of 0.19304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinomycin III. The TPSA of 359.98 Ų indicates high polarity, suggesting Actinomycin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinomycin III has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Actinomycin III?
The CAS number of Actinomycin III is 1402-50-2.
What is the molecular formula of Actinomycin III?
The molecular formula of Actinomycin III is C60H84N12O16.
What is the molecular weight of Actinomycin III?
The molecular weight of Actinomycin III is 1228.61 g/mol.
Where can I buy Actinomycin III?
You can request a quote for Actinomycin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinomycin III?
Yes, KEHONG BIO provides custom synthesis services for Actinomycin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.