Pirlimycin adenylate
TL;DR: Pirlimycin adenylate (CAS 85643-04-5) is a chemical compound with molecular formula C27H43ClN7O11PS and molecular weight 739.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-[[(2S,4S)-4-ethylpiperidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] hydrogen phosphate
Also Known As: Pirlimycin adenylate, U-63,440, U 63440, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-[[(2S,4S)-4-ethylpiperidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] hydrogen phosphate, 5'-Adenylic acid, 3-ester with (2S-trans)-methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-L-threo-alpha-D-galacto-octapyranoside
| Molecular Formula | C27H43ClN7O11PS |
|---|---|
| Molecular Weight | 739.22 g/mol |
| LogP | -0.7701 |
| Topological Polar Surface Area | 265.89 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 739.21674 |
| Heavy Atoms | 48 |
| Complexity | 1463.8865 |
Chemical Identifiers
| CAS Number | 85643-04-5 |
|---|---|
| SMILES | CC[C@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)[C@H](C)Cl |
Product Overview
Pirlimycin adenylate (CAS 85643-04-5), with molecular formula C27H43ClN7O11PS and molecular weight 739.22 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-[[(2S,4S)-4-ethylpiperidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] hydrogen phosphate.
Chemical Property Profile of Pirlimycin adenylate
Property Insights of Pirlimycin adenylate
The XLogP value of -0.7701 indicates that Pirlimycin adenylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.89 Ų indicates high polarity, suggesting Pirlimycin adenylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pirlimycin adenylate has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pirlimycin adenylate?
The CAS number of Pirlimycin adenylate is 85643-04-5.
What is the molecular formula of Pirlimycin adenylate?
The molecular formula of Pirlimycin adenylate is C27H43ClN7O11PS.
What is the molecular weight of Pirlimycin adenylate?
The molecular weight of Pirlimycin adenylate is 739.22 g/mol.
Where can I buy Pirlimycin adenylate?
You can request a quote for Pirlimycin adenylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pirlimycin adenylate?
Yes, KEHONG BIO provides custom synthesis services for Pirlimycin adenylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.