乙氨基柔红霉素
TL;DR: 乙氨基柔红霉素 (CAS 105344-39-6) is a chemical compound with molecular formula C29H33NO10 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙氨基柔红霉素
(7S,9S)-9-acetyl-7-[(2S,4R,5R,6R)-4-(2-aminoethyl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Ethylaminedaunomycin, SR 2640, 5,12-Naphthacenedione, 8-acetyl-10-((4-(2-aminoethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (2R-(2alpha(8S*,10S*),4beta,5beta,6beta))-, 8-Acetyl-10-((4-(2-aminoethyl)tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (2R-(2alpha(8S*,10S*),4beta,5beta,6beta))-, (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (5R)-3-(2-aminoethyl)-2,3-dideoxy-5-methyl-beta-L-erythro-pentopyranoside
| Molecular Formula | C29H33NO10 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.21045 |
| Heavy Atoms | 40 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 105344-39-6 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)CCN)O |
| InChIKey | HXBDAIIQDRNEAU-CAJVCOIPSA-N |
Product Overview
乙氨基柔红霉素 (CAS 105344-39-6), with molecular formula C29H33NO10 and molecular weight 555.21 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2S,4R,5R,6R)-4-(2-aminoethyl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 乙氨基柔红霉素
Property Insights of 乙氨基柔红霉素
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙氨基柔红霉素. The TPSA of 186.0 Ų indicates high polarity, suggesting 乙氨基柔红霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙氨基柔红霉素 has 5 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 乙氨基柔红霉素?
The CAS number of 乙氨基柔红霉素 is 105344-39-6.
What is the molecular formula of 乙氨基柔红霉素?
The molecular formula of 乙氨基柔红霉素 is C29H33NO10.
What is the molecular weight of 乙氨基柔红霉素?
The molecular weight of 乙氨基柔红霉素 is 555.21 g/mol.
Where can I buy 乙氨基柔红霉素?
You can request a quote for 乙氨基柔红霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙氨基柔红霉素?
Yes, KEHONG BIO provides custom synthesis services for 乙氨基柔红霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.