Deisovalerylblastmycin
TL;DR: Deisovalerylblastmycin (CAS 60504-95-2) is a chemical compound with molecular formula C21H28N2O8 and molecular weight 436.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide
Also Known As: Deisovalerylblastmycin, Blastmycin, deisovalery-, N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide, N-(7-Butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide, Benzamide, N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-(formylamino)-2-hydroxy-, (3S-(3R*,4S*,7S*,8S*,9R*))-
| Molecular Formula | C21H28N2O8 |
|---|---|
| Molecular Weight | 436.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.18457 |
| Heavy Atoms | 31 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 60504-95-2 |
|---|---|
| SMILES | CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)O |
| InChIKey | RQVHZRRXZBBXMY-ZMNIPVBYSA-N |
Product Overview
Deisovalerylblastmycin (CAS 60504-95-2), with molecular formula C21H28N2O8 and molecular weight 436.18 g/mol. IUPAC: N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide.
Chemical Property Profile of Deisovalerylblastmycin
Property Insights of Deisovalerylblastmycin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deisovalerylblastmycin. The TPSA of 151.0 Ų indicates high polarity, suggesting Deisovalerylblastmycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deisovalerylblastmycin has 4 hydrogen bond donor(s) and 8 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 Deisovalerylblastmycin?
The CAS number of Deisovalerylblastmycin is 60504-95-2.
What is the molecular formula of Deisovalerylblastmycin?
The molecular formula of Deisovalerylblastmycin is C21H28N2O8.
What is the molecular weight of Deisovalerylblastmycin?
The molecular weight of Deisovalerylblastmycin is 436.18 g/mol.
Where can I buy Deisovalerylblastmycin?
You can request a quote for Deisovalerylblastmycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deisovalerylblastmycin?
Yes, KEHONG BIO provides custom synthesis services for Deisovalerylblastmycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.