aklavin
TL;DR: aklavin (CAS 11002-83-8) is a chemical compound with molecular formula C30H35NO10 and molecular weight 569.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: aklavin, Aclacinomycin, Aclacinomycin T, Doxypyrromycin, 1-Deoxypyrromycin
| Molecular Formula | C30H35NO10 |
|---|---|
| Molecular Weight | 569.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 569.2261 |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 11002-83-8 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O |
| InChIKey | LJZPVWKMAYDYAS-QKKPTTNWSA-N |
Product Overview
aklavin (CAS 11002-83-8), with molecular formula C30H35NO10 and molecular weight 569.23 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of aklavin
Property Insights of aklavin
The XLogP value of 3.1 indicates that aklavin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting aklavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aklavin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of aklavin?
The CAS number of aklavin is 11002-83-8.
What is the molecular formula of aklavin?
The molecular formula of aklavin is C30H35NO10.
What is the molecular weight of aklavin?
The molecular weight of aklavin is 569.23 g/mol.
Where can I buy aklavin?
You can request a quote for aklavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aklavin?
Yes, KEHONG BIO provides custom synthesis services for aklavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.