Thioformyldistamycin
TL;DR: Thioformyldistamycin (CAS 139341-61-0) is a chemical compound with molecular formula C28H34ClN11O4S and molecular weight 655.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(methanethioylamino)-1-methylpyrrole-2-carboxamide;hydrochloride
Also Known As: Thioformyldistamycin, Thioformyldistamycin 3 monohydrochloride, N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(methanethioylamino)-1-methylpyrrole-2-carboxamide hydrochloride, N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(methanethioylamino)-1-methylpyrrole-2-carboxamide;hydrochloride, RefChem:189529
| Molecular Formula | C28H34ClN11O4S |
|---|---|
| Molecular Weight | 655.22 g/mol |
| LogP | 2.64427 |
| Topological Polar Surface Area | 198.02 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 655.22046 |
| Heavy Atoms | 45 |
| Complexity | 1781.8267 |
Chemical Identifiers
| CAS Number | 139341-61-0 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C)C)NC=S.Cl |
Product Overview
Thioformyldistamycin (CAS 139341-61-0), with molecular formula C28H34ClN11O4S and molecular weight 655.22 g/mol. IUPAC: N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(methanethioylamino)-1-methylpyrrole-2-carboxamide;hydrochloride.
Chemical Property Profile of Thioformyldistamycin
Property Insights of Thioformyldistamycin
The XLogP value of 2.64427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioformyldistamycin. The TPSA of 198.02 Ų indicates high polarity, suggesting Thioformyldistamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thioformyldistamycin has 7 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 Thioformyldistamycin?
The CAS number of Thioformyldistamycin is 139341-61-0.
What is the molecular formula of Thioformyldistamycin?
The molecular formula of Thioformyldistamycin is C28H34ClN11O4S.
What is the molecular weight of Thioformyldistamycin?
The molecular weight of Thioformyldistamycin is 655.22 g/mol.
Where can I buy Thioformyldistamycin?
You can request a quote for Thioformyldistamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioformyldistamycin?
Yes, KEHONG BIO provides custom synthesis services for Thioformyldistamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.