7-(Benzylamino)actinomycin D
TL;DR: 7-(Benzylamino)actinomycin D (CAS 64604-59-7) is a chemical compound with molecular formula C69H93N13O16 and molecular weight 1359.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-(benzylamino)-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: 7-(Benzylamino)actinomycin D, 7-((Phenylmethyl)amino)actinomycin D, Actinomycin D, 7-((phenylmethyl)amino)-, 2-amino-7-(benzylamino)-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, BRN 5387638
| Molecular Formula | C69H93N13O16 |
|---|---|
| Molecular Weight | 1359.69 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 1359.6863 |
| Heavy Atoms | 98 |
| Complexity | 3250.0 |
Chemical Identifiers
| CAS Number | 64604-59-7 |
|---|---|
| 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=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)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)C)NCC8=CC=CC=C8 |
| InChIKey | FILMNGQLMJPOGD-UHFFFAOYSA-N |
Product Overview
7-(Benzylamino)actinomycin D (CAS 64604-59-7), with molecular formula C69H93N13O16 and molecular weight 1359.69 g/mol. IUPAC: 2-amino-7-(benzylamino)-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 7-(Benzylamino)actinomycin D
Property Insights of 7-(Benzylamino)actinomycin D
The XLogP value of 5.2 indicates that 7-(Benzylamino)actinomycin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 368.0 Ų indicates high polarity, suggesting 7-(Benzylamino)actinomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(Benzylamino)actinomycin D 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 7-(Benzylamino)actinomycin D?
The CAS number of 7-(Benzylamino)actinomycin D is 64604-59-7.
What is the molecular formula of 7-(Benzylamino)actinomycin D?
The molecular formula of 7-(Benzylamino)actinomycin D is C69H93N13O16.
What is the molecular weight of 7-(Benzylamino)actinomycin D?
The molecular weight of 7-(Benzylamino)actinomycin D is 1359.69 g/mol.
Where can I buy 7-(Benzylamino)actinomycin D?
You can request a quote for 7-(Benzylamino)actinomycin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Benzylamino)actinomycin D?
Yes, KEHONG BIO provides custom synthesis services for 7-(Benzylamino)actinomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.