阿克拉霉素
TL;DR: 阿克拉霉素 (CAS 66676-88-8) 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.
阿克拉霉素
methyl 4-[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: Aclacinomycin, aklavin, aklavine, methyl 4-[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
| 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 | 66676-88-8 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O |
| InChIKey | LJZPVWKMAYDYAS-UHFFFAOYSA-N |
Product Overview
阿克拉霉素 (CAS 66676-88-8), with molecular formula C30H35NO10 and molecular weight 569.23 g/mol. IUPAC: methyl 4-[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 阿克拉霉素
Property Insights of 阿克拉霉素
The XLogP value of 3.1 indicates that 阿克拉霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting 阿克拉霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿克拉霉素 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 阿克拉霉素?
The CAS number of 阿克拉霉素 is 66676-88-8.
What is the molecular formula of 阿克拉霉素?
The molecular formula of 阿克拉霉素 is C30H35NO10.
What is the molecular weight of 阿克拉霉素?
The molecular weight of 阿克拉霉素 is 569.23 g/mol.
Where can I buy 阿克拉霉素?
You can request a quote for 阿克拉霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿克拉霉素?
Yes, KEHONG BIO provides custom synthesis services for 阿克拉霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.