4-Amino-4-dihydrospectinomycin
TL;DR: 4-Amino-4-dihydrospectinomycin (CAS 94380-60-6) is a chemical compound with molecular formula C14H27N3O6 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecane-8,12,14-triol
Also Known As: 4-Adh-spectinomycin, 4-Amino-4-dihydrospectinomycin, 4-amino-2-methyl-6,8-bis(methylamino)octahydro-2h-pyrano[2,3-b][1,4]benzodioxine-4a,7,9(10ah)-triol, 2H-Pyrano(2,3-b)(1,4)benzodioxin-4a,7,9(10aH)-triol, 4-aminooctahydro-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-, 2H-Pyrano[2,3-b][1,4]benzodioxin-4a,7,9(10aH)-triol,4-aminooctahydro-2-methyl-6,8-bis(methylamino)-,(2R,4S,4aS,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI)
| Molecular Formula | C14H27N3O6 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.18997 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 94380-60-6 |
|---|---|
| SMILES | CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)N |
| InChIKey | HGIJKKNAKGJVCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-4-dihydrospectinomycin (CAS 94380-60-6), with molecular formula C14H27N3O6 and molecular weight 333.19 g/mol. IUPAC: 7-amino-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecane-8,12,14-triol.
Chemical Property Profile of 4-Amino-4-dihydrospectinomycin
Property Insights of 4-Amino-4-dihydrospectinomycin
The XLogP value of -3.3 indicates that 4-Amino-4-dihydrospectinomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4-dihydrospectinomycin. Following Lipinski's Rule of Five, 4-Amino-4-dihydrospectinomycin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-4-dihydrospectinomycin?
The CAS number of 4-Amino-4-dihydrospectinomycin is 94380-60-6.
What is the molecular formula of 4-Amino-4-dihydrospectinomycin?
The molecular formula of 4-Amino-4-dihydrospectinomycin is C14H27N3O6.
What is the molecular weight of 4-Amino-4-dihydrospectinomycin?
The molecular weight of 4-Amino-4-dihydrospectinomycin is 333.19 g/mol.
Where can I buy 4-Amino-4-dihydrospectinomycin?
You can request a quote for 4-Amino-4-dihydrospectinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-4-dihydrospectinomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-4-dihydrospectinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.