2''-Formimidoylistamycin A
TL;DR: 2''-Formimidoylistamycin A (CAS 81202-83-7) is a chemical compound with molecular formula C18H36N6O5 and molecular weight 416.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
Also Known As: 2''-Formimidoylistamycin A, N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide, 5-Amino-3-hydroxy-2-{[N-(iminomethyl)glycyl](methyl)amino}-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside, L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-, RefChem:908355
| Molecular Formula | C18H36N6O5 |
|---|---|
| Molecular Weight | 416.27 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.27472 |
| Heavy Atoms | 29 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 81202-83-7 |
|---|---|
| SMILES | CNCC1CCC(C(O1)OC2CC(C(C(C2N(C)C(=O)CN=CN)O)OC)N)N |
| InChIKey | YHLFRQHBLKQPRR-UHFFFAOYSA-N |
Product Overview
2''-Formimidoylistamycin A (CAS 81202-83-7), with molecular formula C18H36N6O5 and molecular weight 416.27 g/mol. IUPAC: N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide.
Chemical Property Profile of 2''-Formimidoylistamycin A
Property Insights of 2''-Formimidoylistamycin A
The XLogP value of -3.2 indicates that 2''-Formimidoylistamycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 2''-Formimidoylistamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2''-Formimidoylistamycin A has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2''-Formimidoylistamycin A?
The CAS number of 2''-Formimidoylistamycin A is 81202-83-7.
What is the molecular formula of 2''-Formimidoylistamycin A?
The molecular formula of 2''-Formimidoylistamycin A is C18H36N6O5.
What is the molecular weight of 2''-Formimidoylistamycin A?
The molecular weight of 2''-Formimidoylistamycin A is 416.27 g/mol.
Where can I buy 2''-Formimidoylistamycin A?
You can request a quote for 2''-Formimidoylistamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2''-Formimidoylistamycin A?
Yes, KEHONG BIO provides custom synthesis services for 2''-Formimidoylistamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.