新抑癌素
TL;DR: 新抑癌素 (CAS 9014-02-2) is a chemical compound with molecular formula C35H35NO12 and molecular weight 661.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新抑癌素
[(4S,6R,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]tridec-1(13)-en-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
Also Known As: Neocarzinostatin, Neocarzinostatin (JAN), Zinostatin (USAN/INN), 33862-EP2272832A1, 33862-EP2275420A1
| Molecular Formula | C35H35NO12 |
|---|---|
| Molecular Weight | 661.22 g/mol |
| LogP | 1.46732 |
| Topological Polar Surface Area | 174.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 661.21594 |
| Heavy Atoms | 48 |
| Complexity | 1818.3256 |
Chemical Identifiers
| CAS Number | 9014-02-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C=C3C2CC#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 |
Product Overview
新抑癌素 (CAS 9014-02-2), with molecular formula C35H35NO12 and molecular weight 661.22 g/mol. IUPAC: [(4S,6R,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]tridec-1(13)-en-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate.
Chemical Property Profile of 新抑癌素
Property Insights of 新抑癌素
The XLogP value of 1.46732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新抑癌素. The TPSA of 174.77 Ų indicates high polarity, suggesting 新抑癌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 新抑癌素 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 新抑癌素?
The CAS number of 新抑癌素 is 9014-02-2.
What is the molecular formula of 新抑癌素?
The molecular formula of 新抑癌素 is C35H35NO12.
What is the molecular weight of 新抑癌素?
The molecular weight of 新抑癌素 is 661.22 g/mol.
Where can I buy 新抑癌素?
You can request a quote for 新抑癌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新抑癌素?
Yes, KEHONG BIO provides custom synthesis services for 新抑癌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.