Calicheamicinone
TL;DR: Calicheamicinone (CAS 126629-10-5) is a chemical compound with molecular formula C18H17NO5S3 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(1R,4Z,8S,13Z)-1,8-dihydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate
Also Known As: Calicheamicinone, methyl N-[(1R,4Z,8S,13Z)-1,8-dihydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate
| Molecular Formula | C18H17NO5S3 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 1.8237 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0269 |
| Heavy Atoms | 27 |
| Complexity | 840.52905 |
Chemical Identifiers
| CAS Number | 126629-10-5 |
|---|---|
| SMILES | COC(=O)NC1=C\2[C@H](C#C/C=C\C#C[C@@](/C2=C\CSSSC)(CC1=O)O)O |
Product Overview
Calicheamicinone (CAS 126629-10-5), with molecular formula C18H17NO5S3 and molecular weight 423.03 g/mol. IUPAC: methyl N-[(1R,4Z,8S,13Z)-1,8-dihydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate.
Chemical Property Profile of Calicheamicinone
Property Insights of Calicheamicinone
The XLogP value of 1.8237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calicheamicinone. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Calicheamicinone. Following Lipinski's Rule of Five, Calicheamicinone has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calicheamicinone?
The CAS number of Calicheamicinone is 126629-10-5.
What is the molecular formula of Calicheamicinone?
The molecular formula of Calicheamicinone is C18H17NO5S3.
What is the molecular weight of Calicheamicinone?
The molecular weight of Calicheamicinone is 423.03 g/mol.
Where can I buy Calicheamicinone?
You can request a quote for Calicheamicinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calicheamicinone?
Yes, KEHONG BIO provides custom synthesis services for Calicheamicinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.