N-(4-Aminobutyl)actinomycin D dihydrate
TL;DR: N-(4-Aminobutyl)actinomycin D dihydrate (CAS 78542-41-3) is a chemical compound with molecular formula C66H95N13O16 and molecular weight 1325.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobutylamino)-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]phenoxazine-1,9-dicarboxamide
Also Known As: N-(4-Aminobutyl)actinomycin D dihydrate, Actinomycin D, N-(4-aminobutyl)-, dihydrate, 2-(4-aminobutylamino)-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]phenoxazine-1,9-dicarboxamide
| Molecular Formula | C66H95N13O16 |
|---|---|
| Molecular Weight | 1325.70 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 1325.702 |
| Heavy Atoms | 95 |
| Complexity | 3130.0 |
Chemical Identifiers
| CAS Number | 78542-41-3 |
|---|---|
| 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)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)NCCCCN)C |
| InChIKey | KTSJXVOCNWGOBA-UHFFFAOYSA-N |
Product Overview
N-(4-Aminobutyl)actinomycin D dihydrate (CAS 78542-41-3), with molecular formula C66H95N13O16 and molecular weight 1325.70 g/mol. IUPAC: 2-(4-aminobutylamino)-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]phenoxazine-1,9-dicarboxamide.
Chemical Property Profile of N-(4-Aminobutyl)actinomycin D dihydrate
Property Insights of N-(4-Aminobutyl)actinomycin D dihydrate
The XLogP value of 4.2 indicates that N-(4-Aminobutyl)actinomycin D dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 368.0 Ų indicates high polarity, suggesting N-(4-Aminobutyl)actinomycin D dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Aminobutyl)actinomycin D dihydrate has 6 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 N-(4-Aminobutyl)actinomycin D dihydrate?
The CAS number of N-(4-Aminobutyl)actinomycin D dihydrate is 78542-41-3.
What is the molecular formula of N-(4-Aminobutyl)actinomycin D dihydrate?
The molecular formula of N-(4-Aminobutyl)actinomycin D dihydrate is C66H95N13O16.
What is the molecular weight of N-(4-Aminobutyl)actinomycin D dihydrate?
The molecular weight of N-(4-Aminobutyl)actinomycin D dihydrate is 1325.70 g/mol.
Where can I buy N-(4-Aminobutyl)actinomycin D dihydrate?
You can request a quote for N-(4-Aminobutyl)actinomycin D dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Aminobutyl)actinomycin D dihydrate?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminobutyl)actinomycin D dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.