CTK5A8416
TL;DR: CTK5A8416 (CAS 5850-63-5) is a chemical compound with molecular formula C28H33N5O9 and molecular weight 583.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]guanidine
Also Known As: 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-(1-naphthalenyl)diazenyl]-, sodium salt (1:2)
| Molecular Formula | C28H33N5O9 |
|---|---|
| Molecular Weight | 583.23 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.22784 |
| Heavy Atoms | 42 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 5850-63-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NN=C(N)N)C)O)N)O |
| InChIKey | ZEULBNIZFIVMAV-UHFFFAOYSA-N |
Product Overview
CTK5A8416 (CAS 5850-63-5), with molecular formula C28H33N5O9 and molecular weight 583.23 g/mol. IUPAC: 2-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]guanidine.
Chemical Property Profile of CTK5A8416
Property Insights of CTK5A8416
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5A8416. The TPSA of 246.0 Ų indicates high polarity, suggesting CTK5A8416 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5A8416 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5A8416?
The CAS number of CTK5A8416 is 5850-63-5.
What is the molecular formula of CTK5A8416?
The molecular formula of CTK5A8416 is C28H33N5O9.
What is the molecular weight of CTK5A8416?
The molecular weight of CTK5A8416 is 583.23 g/mol.
Where can I buy CTK5A8416?
You can request a quote for CTK5A8416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5A8416?
Yes, KEHONG BIO provides custom synthesis services for CTK5A8416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.