Chloroactinomycin D
TL;DR: Chloroactinomycin D (CAS 21392-13-2) is a chemical compound with molecular formula C62H84ClN11O16 and molecular weight 1273.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-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: Chloroactinomycin D, ACTINOMYCIN D, CHLORO, Actinomycin D, 2-chloro-2-deamino-, Actinomycin D, 2-deamino-2-chloro-, 2-chloro-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 | C62H84ClN11O16 |
|---|---|
| Molecular Weight | 1273.58 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 1273.5786 |
| Heavy Atoms | 90 |
| Complexity | 3030.0 |
Chemical Identifiers
| CAS Number | 21392-13-2 |
|---|---|
| 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)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)Cl)C |
| InChIKey | MXMWTOJMVNSFGJ-UHFFFAOYSA-N |
Product Overview
Chloroactinomycin D (CAS 21392-13-2), with molecular formula C62H84ClN11O16 and molecular weight 1273.58 g/mol. IUPAC: 2-chloro-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 Chloroactinomycin D
Property Insights of Chloroactinomycin D
The XLogP value of 4.5 indicates that Chloroactinomycin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 330.0 Ų indicates high polarity, suggesting Chloroactinomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroactinomycin D has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloroactinomycin D?
The CAS number of Chloroactinomycin D is 21392-13-2.
What is the molecular formula of Chloroactinomycin D?
The molecular formula of Chloroactinomycin D is C62H84ClN11O16.
What is the molecular weight of Chloroactinomycin D?
The molecular weight of Chloroactinomycin D is 1273.58 g/mol.
Where can I buy Chloroactinomycin D?
You can request a quote for Chloroactinomycin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroactinomycin D?
Yes, KEHONG BIO provides custom synthesis services for Chloroactinomycin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.