Neocarzinostatin chromophore
TL;DR: Neocarzinostatin chromophore (CAS 81604-85-5) is a chemical compound with molecular formula C35H33NO12 and molecular weight 659.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
Also Known As: Ncs-chrom, Neocarzinostatin chromophore, Ncs-Chromophore, Neocarzinostatin, Chromophore
| Molecular Formula | C35H33NO12 |
|---|---|
| Molecular Weight | 659.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 659.20026 |
| Heavy Atoms | 48 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 81604-85-5 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]\2[C@@H](C=C3/C2=C\C#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O |
| InChIKey | QZGIWPZCWHMVQL-UIYAJPBUSA-N |
Product Overview
Neocarzinostatin chromophore (CAS 81604-85-5), with molecular formula C35H33NO12 and molecular weight 659.20 g/mol. IUPAC: [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate.
Chemical Property Profile of Neocarzinostatin chromophore
Property Insights of Neocarzinostatin chromophore
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neocarzinostatin chromophore. The TPSA of 175.0 Ų indicates high polarity, suggesting Neocarzinostatin chromophore may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neocarzinostatin chromophore has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neocarzinostatin chromophore?
The CAS number of Neocarzinostatin chromophore is 81604-85-5.
What is the molecular formula of Neocarzinostatin chromophore?
The molecular formula of Neocarzinostatin chromophore is C35H33NO12.
What is the molecular weight of Neocarzinostatin chromophore?
The molecular weight of Neocarzinostatin chromophore is 659.20 g/mol.
Where can I buy Neocarzinostatin chromophore?
You can request a quote for Neocarzinostatin chromophore directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neocarzinostatin chromophore?
Yes, KEHONG BIO provides custom synthesis services for Neocarzinostatin chromophore and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.