Deoxymethyspergualin
TL;DR: Deoxymethyspergualin (CAS 6277-01-6) is a chemical compound with molecular formula C18H39N7O3 and molecular weight 401.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
Also Known As: Deoxymethyspergualin, Deoxymethylspergualin, Methyldeoxyspergualin, MeDSG, 15-Medsg
| Molecular Formula | C18H39N7O3 |
|---|---|
| Molecular Weight | 401.31 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 401.31143 |
| Heavy Atoms | 28 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6277-01-6 |
|---|---|
| SMILES | COC(C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N |
| InChIKey | HFNDGMJKLKYYRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deoxymethyspergualin (CAS 6277-01-6), with molecular formula C18H39N7O3 and molecular weight 401.31 g/mol. IUPAC: N-[2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide.
Chemical Property Profile of Deoxymethyspergualin
Property Insights of Deoxymethyspergualin
The XLogP value of -1.4 indicates that Deoxymethyspergualin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting Deoxymethyspergualin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxymethyspergualin has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxymethyspergualin?
The CAS number of Deoxymethyspergualin is 6277-01-6.
What is the molecular formula of Deoxymethyspergualin?
The molecular formula of Deoxymethyspergualin is C18H39N7O3.
What is the molecular weight of Deoxymethyspergualin?
The molecular weight of Deoxymethyspergualin is 401.31 g/mol.
Where can I buy Deoxymethyspergualin?
You can request a quote for Deoxymethyspergualin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxymethyspergualin?
Yes, KEHONG BIO provides custom synthesis services for Deoxymethyspergualin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.