2'-Demethylbenanomicin A
TL;DR: 2'-Demethylbenanomicin A (CAS 1338083-26-3) is a chemical compound with molecular formula C38H39NO19 and molecular weight 813.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Also Known As: 2'-Demethylbenanomicin A, 2/'-Demethylbenanomicin A, 2-[[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid, 1-Benzyl 2-methyl (2R,5S)-5-hydroxy-1,2-piperidinedicarboxylate, 2-(5-butyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
| Molecular Formula | C38H39NO19 |
|---|---|
| Molecular Weight | 813.21 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 813.2116 |
| Heavy Atoms | 58 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 1338083-26-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)O |
| InChIKey | IHDSFXZBMQANRD-UHFFFAOYSA-N |
Product Overview
2'-Demethylbenanomicin A (CAS 1338083-26-3), with molecular formula C38H39NO19 and molecular weight 813.21 g/mol. IUPAC: 2-[[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid.
Chemical Property Profile of 2'-Demethylbenanomicin A
Property Insights of 2'-Demethylbenanomicin A
The XLogP value of -0.3 indicates that 2'-Demethylbenanomicin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting 2'-Demethylbenanomicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Demethylbenanomicin A has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Demethylbenanomicin A?
The CAS number of 2'-Demethylbenanomicin A is 1338083-26-3.
What is the molecular formula of 2'-Demethylbenanomicin A?
The molecular formula of 2'-Demethylbenanomicin A is C38H39NO19.
What is the molecular weight of 2'-Demethylbenanomicin A?
The molecular weight of 2'-Demethylbenanomicin A is 813.21 g/mol.
Where can I buy 2'-Demethylbenanomicin A?
You can request a quote for 2'-Demethylbenanomicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Demethylbenanomicin A?
Yes, KEHONG BIO provides custom synthesis services for 2'-Demethylbenanomicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.