3-O-Demethylfortimicin A
TL;DR: 3-O-Demethylfortimicin A (CAS 74841-93-3) is a chemical compound with molecular formula C28H33N5O9 and molecular weight 583.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]guanidine
Also Known As: 3-O-Demethylfortimicin A, RP 19920, Hydrazinecarboximidamide, 2-(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-, (2S-cis)-
| Molecular Formula | C28H33N5O9 |
|---|---|
| Molecular Weight | 583.23 g/mol |
| LogP | 0.0892 |
| Topological Polar Surface Area | 245.53 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.22784 |
| Heavy Atoms | 42 |
| Complexity | 1524.3446 |
Chemical Identifiers
| CAS Number | 74841-93-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C(N)N)/C)O)N)O |
Product Overview
3-O-Demethylfortimicin A (CAS 74841-93-3), with molecular formula C28H33N5O9 and molecular weight 583.23 g/mol. IUPAC: 2-[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]guanidine.
Chemical Property Profile of 3-O-Demethylfortimicin A
Property Insights of 3-O-Demethylfortimicin A
The XLogP value of 0.0892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Demethylfortimicin A. The TPSA of 245.53 Ų indicates high polarity, suggesting 3-O-Demethylfortimicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-Demethylfortimicin A has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Demethylfortimicin A?
The CAS number of 3-O-Demethylfortimicin A is 74841-93-3.
What is the molecular formula of 3-O-Demethylfortimicin A?
The molecular formula of 3-O-Demethylfortimicin A is C28H33N5O9.
What is the molecular weight of 3-O-Demethylfortimicin A?
The molecular weight of 3-O-Demethylfortimicin A is 583.23 g/mol.
Where can I buy 3-O-Demethylfortimicin A?
You can request a quote for 3-O-Demethylfortimicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Demethylfortimicin A?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Demethylfortimicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.