Homospectinomycin dihydrochloride
TL;DR: Homospectinomycin dihydrochloride (CAS 119817-77-5) is a chemical compound with molecular formula C15H28Cl2N2O7 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,4S,5S,6R,7S,8R,10S,12R)-1,5,7-trihydroxy-12-methyl-4,6-bis(methylamino)-2,9,11-trioxatricyclo[8.5.0.03,8]pentadecan-15-one;dihydrochloride
Also Known As: Homospectinomycin HCl, Homospectinomycin dihydrochloride, Oxepino(2,3-b)(1,4)benzodioxin-5(2H)-one, decahydro-7,9-bis(methylamino)-2-methyl-5a,8,10-trihydroxy-, dihydrochloride, (2R-(2-alpha,5a-beta,7-beta,8-beta,9-beta,10-alpha,10a-alpha,11a-beta))-, (2R,5aR,6aR,7S,8S,9R,10S,10aR,11aS)-5a,8,10-Trihydroxy-2-methyl-7,9-bis(methylamino)decahydrooxepino[2,3-b][1,4]benzodioxin-5(2H)-one--hydrogen chloride (1/2), 5a,8,10-Trihydroxy-2-methyl-7,9-bis(methylamino)decahydrooxepino[2,3-b][1,4]benzodioxin-5(2H)-one--hydrogen chloride (1/2)
| Molecular Formula | C15H28Cl2N2O7 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | -1.6919 |
| Topological Polar Surface Area | 129.51 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.12735 |
| Heavy Atoms | 26 |
| Complexity | 502.61536 |
Chemical Identifiers
| CAS Number | 119817-77-5 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.Cl.Cl |
Product Overview
Homospectinomycin dihydrochloride (CAS 119817-77-5), with molecular formula C15H28Cl2N2O7 and molecular weight 418.13 g/mol. IUPAC: (1R,3R,4S,5S,6R,7S,8R,10S,12R)-1,5,7-trihydroxy-12-methyl-4,6-bis(methylamino)-2,9,11-trioxatricyclo[8.5.0.03,8]pentadecan-15-one;dihydrochloride.
Chemical Property Profile of Homospectinomycin dihydrochloride
Property Insights of Homospectinomycin dihydrochloride
The XLogP value of -1.6919 indicates that Homospectinomycin dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Homospectinomycin dihydrochloride. Following Lipinski's Rule of Five, Homospectinomycin dihydrochloride 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 Homospectinomycin dihydrochloride?
The CAS number of Homospectinomycin dihydrochloride is 119817-77-5.
What is the molecular formula of Homospectinomycin dihydrochloride?
The molecular formula of Homospectinomycin dihydrochloride is C15H28Cl2N2O7.
What is the molecular weight of Homospectinomycin dihydrochloride?
The molecular weight of Homospectinomycin dihydrochloride is 418.13 g/mol.
Where can I buy Homospectinomycin dihydrochloride?
You can request a quote for Homospectinomycin dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homospectinomycin dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Homospectinomycin dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.