Romidepsin reduced
TL;DR: Romidepsin reduced (CAS 390745-19-4) is a chemical compound with molecular formula C24H38N4O6S2 and molecular weight 542.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6Z,9S,12R,16S)-6-ethylidene-3,12-di(propan-2-yl)-16-[(E)-4-sulfanylbut-1-enyl]-9-(sulfanylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Also Known As: Romidepsin reduced, FK-228 (reduced), Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl), (3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-isopropyl-16-(4-mercapto-but-1-enyl)-9-mercaptomethyl-1-oxa-4,7,10,13-tetraaza-cyclohexadecane-2,5,8,11,14-pentaone
| Molecular Formula | C24H38N4O6S2 |
|---|---|
| Molecular Weight | 542.22 g/mol |
| LogP | 0.8942 |
| Topological Polar Surface Area | 142.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.22327 |
| Heavy Atoms | 36 |
| Complexity | 874.668 |
Chemical Identifiers
| CAS Number | 390745-19-4 |
|---|---|
| SMILES | C/C=C\1/C(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CS)C(C)C)/C=C/CCS)C(C)C |
Product Overview
Romidepsin reduced (CAS 390745-19-4), with molecular formula C24H38N4O6S2 and molecular weight 542.22 g/mol. IUPAC: (3S,6Z,9S,12R,16S)-6-ethylidene-3,12-di(propan-2-yl)-16-[(E)-4-sulfanylbut-1-enyl]-9-(sulfanylmethyl)-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone.
Chemical Property Profile of Romidepsin reduced
Property Insights of Romidepsin reduced
The XLogP value of 0.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Romidepsin reduced. The TPSA of 142.7 Ų indicates high polarity, suggesting Romidepsin reduced may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Romidepsin reduced has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Romidepsin reduced?
The CAS number of Romidepsin reduced is 390745-19-4.
What is the molecular formula of Romidepsin reduced?
The molecular formula of Romidepsin reduced is C24H38N4O6S2.
What is the molecular weight of Romidepsin reduced?
The molecular weight of Romidepsin reduced is 542.22 g/mol.
Where can I buy Romidepsin reduced?
You can request a quote for Romidepsin reduced directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Romidepsin reduced?
Yes, KEHONG BIO provides custom synthesis services for Romidepsin reduced and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.