Pirlimycin Hydrochloride
TL;DR: Pirlimycin Hydrochloride (CAS 77495-92-2) is a chemical compound with molecular formula C17H34Cl2N2O6S and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide;hydrate;hydrochloride
Also Known As: Pirlimycin Hydrochloride, KST-1A8387, (2s,4r)-n-[2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-4-ethyl-piperidine-2-carboxamide hydrate hydrochloride, (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide hydrate hydrochloride, Methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-4-ethylpiperidin-2-yl](hydroxy)methylidene}amino)-1-thio-alpha-D-galacto-octopyranoside--hydrogen chloride--water (1/1/1)
| Molecular Formula | C17H34Cl2N2O6S |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.15146 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 77495-92-2 |
|---|---|
| SMILES | CC[C@@H]1CCN[C@@H](C1)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl.O.Cl |
| InChIKey | CHAZSEMQYSZBFN-VLNIDNGMSA-N |
Product Overview
Pirlimycin Hydrochloride (CAS 77495-92-2), with molecular formula C17H34Cl2N2O6S and molecular weight 464.15 g/mol. IUPAC: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide;hydrate;hydrochloride.
Chemical Property Profile of Pirlimycin Hydrochloride
Property Insights of Pirlimycin Hydrochloride
The XLogP value of -0.36 indicates that Pirlimycin Hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pirlimycin Hydrochloride. Following Lipinski's Rule of Five, Pirlimycin Hydrochloride has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pirlimycin Hydrochloride?
The CAS number of Pirlimycin Hydrochloride is 77495-92-2.
What is the molecular formula of Pirlimycin Hydrochloride?
The molecular formula of Pirlimycin Hydrochloride is C17H34Cl2N2O6S.
What is the molecular weight of Pirlimycin Hydrochloride?
The molecular weight of Pirlimycin Hydrochloride is 464.15 g/mol.
Where can I buy Pirlimycin Hydrochloride?
You can request a quote for Pirlimycin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pirlimycin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pirlimycin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.