N-Undecylactinomycin D
TL;DR: N-Undecylactinomycin D (CAS 78542-40-2) is a chemical compound with molecular formula C73H108N12O16 and molecular weight 1408.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-oxo-1-N,9-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]-2-(undecylamino)phenoxazine-1,9-dicarboxamide
Also Known As: N-Undecylactinomycin D, Actinomycin D, N-undecyl-, 4,6-dimethyl-3-oxo-1-N,9-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]-2-(undecylamino)phenoxazine-1,9-dicarboxamide, 4,6-dimethyl-3-oxo-N,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]-2-(undecylamino)phenoxazine-1,9-dicarboxamide
| Molecular Formula | C73H108N12O16 |
|---|---|
| Molecular Weight | 1408.80 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 342.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 1408.8007 |
| Heavy Atoms | 101 |
| Complexity | 3230.0 |
Chemical Identifiers
| CAS Number | 78542-40-2 |
|---|---|
| SMILES | CCCCCCCCCCCNC1=C(C2=NC3=C(C=CC(=C3OC2=C(C1=O)C)C)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C |
| InChIKey | CGKQCUQQZUTWEE-UHFFFAOYSA-N |
Product Overview
N-Undecylactinomycin D (CAS 78542-40-2), with molecular formula C73H108N12O16 and molecular weight 1408.80 g/mol. IUPAC: 4,6-dimethyl-3-oxo-1-N,9-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]-2-(undecylamino)phenoxazine-1,9-dicarboxamide.
Chemical Property Profile of N-Undecylactinomycin D
Property Insights of N-Undecylactinomycin D
The XLogP value of 9.5 indicates that N-Undecylactinomycin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 342.0 Ų indicates high polarity, suggesting N-Undecylactinomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Undecylactinomycin D 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 N-Undecylactinomycin D?
The CAS number of N-Undecylactinomycin D is 78542-40-2.
What is the molecular formula of N-Undecylactinomycin D?
The molecular formula of N-Undecylactinomycin D is C73H108N12O16.
What is the molecular weight of N-Undecylactinomycin D?
The molecular weight of N-Undecylactinomycin D is 1408.80 g/mol.
Where can I buy N-Undecylactinomycin D?
You can request a quote for N-Undecylactinomycin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Undecylactinomycin D?
Yes, KEHONG BIO provides custom synthesis services for N-Undecylactinomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.