deformyldistamycin
TL;DR: deformyldistamycin (CAS 4512-61-2) is a chemical compound with molecular formula C21H28ClN9O3 and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
Also Known As: deformyldistamycin, 2-Mercaptoethylgluconamide, N''-(2-Amidinoethyl)-4-amino-1,1',1''-trimethyl-N,4':N',4''-ter(pyrrole-2-carboxamide) monohydrochloride, 4-amino-n-{5-[(5-{[(3z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}-1-methyl-1h-pyrrole-2-carboxamide hydrochloride(1:1), N,4':N',4''-Ter(pyrrole-2-carboxamide), N''-(2-amidinoethyl)-4-amino-1,1',1''-trimethyl-, monohydrochloride
| Molecular Formula | C21H28ClN9O3 |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 1.26657 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.20038 |
| Heavy Atoms | 34 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 4512-61-2 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)N.Cl |
| InChIKey | ULTHWRXVHDNLCK-UHFFFAOYSA-N |
Product Overview
deformyldistamycin (CAS 4512-61-2), with molecular formula C21H28ClN9O3 and molecular weight 489.20 g/mol. IUPAC: 4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;hydrochloride.
Chemical Property Profile of deformyldistamycin
Property Insights of deformyldistamycin
The XLogP value of 1.26657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for deformyldistamycin. The TPSA of 178.0 Ų indicates high polarity, suggesting deformyldistamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, deformyldistamycin has 7 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of deformyldistamycin?
The CAS number of deformyldistamycin is 4512-61-2.
What is the molecular formula of deformyldistamycin?
The molecular formula of deformyldistamycin is C21H28ClN9O3.
What is the molecular weight of deformyldistamycin?
The molecular weight of deformyldistamycin is 489.20 g/mol.
Where can I buy deformyldistamycin?
You can request a quote for deformyldistamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for deformyldistamycin?
Yes, KEHONG BIO provides custom synthesis services for deformyldistamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.