Ascamycin
TL;DR: Ascamycin (CAS 97416-83-6) is a chemical compound with molecular formula C13H18ClN7O7S and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-aminopropanoyl)sulfamate
Also Known As: Ascamycin, 5'-o-(alanylsulfamoyl)-2-chloroadenosine, [(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-aminopropanoyl)sulfamate, 5'-O-[(2-Amino-1-hydroxypropylidene)sulfamoyl]-2-chloroadenosine, Adenosine, 2-chloro-, 5'-((2-amino-1-oxopropyl)sulfamate), (S)-
| Molecular Formula | C13H18ClN7O7S |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0677 |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 97416-83-6 |
|---|---|
| SMILES | CC(C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)O)N |
| InChIKey | LZMCAAGVMFMSKC-IEJLNPMYSA-N |
Product Overview
Ascamycin (CAS 97416-83-6), with molecular formula C13H18ClN7O7S and molecular weight 451.07 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-aminopropanoyl)sulfamate.
Chemical Property Profile of Ascamycin
Property Insights of Ascamycin
The XLogP value of -2.4 indicates that Ascamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting Ascamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ascamycin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ascamycin?
The CAS number of Ascamycin is 97416-83-6.
What is the molecular formula of Ascamycin?
The molecular formula of Ascamycin is C13H18ClN7O7S.
What is the molecular weight of Ascamycin?
The molecular weight of Ascamycin is 451.07 g/mol.
Where can I buy Ascamycin?
You can request a quote for Ascamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascamycin?
Yes, KEHONG BIO provides custom synthesis services for Ascamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.