Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-
TL;DR: Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- (CAS 61417-48-9) is a chemical compound with molecular formula C31H53NO9 and molecular weight 583.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Also Known As: Juvenimicin B3, Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-, 12,13-Deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxycirramycin A1, (11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione, RefChem:1081908
| Molecular Formula | C31H53NO9 |
|---|---|
| Molecular Weight | 583.37 g/mol |
| LogP | 2.225 |
| Topological Polar Surface Area | 145.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 583.372 |
| Heavy Atoms | 41 |
| Complexity | 890.81433 |
Chemical Identifiers
| CAS Number | 61417-48-9 |
|---|---|
| SMILES | CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CCO)C)\C)CO |
Product Overview
Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- (CAS 61417-48-9), with molecular formula C31H53NO9 and molecular weight 583.37 g/mol. IUPAC: (11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
Chemical Property Profile of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-
Property Insights of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-
The XLogP value of 2.225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-. The TPSA of 145.99 Ų indicates high polarity, suggesting Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-?
The CAS number of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- is 61417-48-9.
What is the molecular formula of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-?
The molecular formula of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- is C31H53NO9.
What is the molecular weight of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-?
The molecular weight of Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- is 583.37 g/mol.
Where can I buy Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-?
You can request a quote for Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Cirramycin A1, 12,13-deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20,23-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.