1,2,3-Trihomodistamycin A
TL;DR: 1,2,3-Trihomodistamycin A (CAS 85407-04-1) is a chemical compound with molecular formula C25H33N9O4 and molecular weight 523.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-ethylpyrrol-3-yl]-1-ethyl-4-formamidopyrrole-2-carboxamide
Also Known As: 1,2,3-Trihomodistamycin A, 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-1-ethyl-4-(((1-ethyl-4-(formylamino)-1H-pyrrol-2-yl)carbonyl)amino)-, N-(5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-1-ethyl-4-(((1-ethyl-4-(formylamino)-1H-pyrrol-2-yl)carbonyl)amino)-1H-pyrrole-2-carboxamide, N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-ethylpyrrol-3-yl]-1-ethyl-4-formamidopyrrole-2-carboxamide, N-(3-Amino-3-iminopropyl)-1-ethyl-4-[1-ethyl-4-(1-ethyl-4-formamido-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxamido]-1H-pyrrole-2-carboxamide
| Molecular Formula | C25H33N9O4 |
|---|---|
| Molecular Weight | 523.27 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 523.26556 |
| Heavy Atoms | 38 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 85407-04-1 |
|---|---|
| SMILES | CCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CC)CC)NC=O |
| InChIKey | GGMQCKNGZWEJLW-UHFFFAOYSA-N |
Product Overview
1,2,3-Trihomodistamycin A (CAS 85407-04-1), with molecular formula C25H33N9O4 and molecular weight 523.27 g/mol. IUPAC: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-ethylpyrrol-3-yl]-1-ethyl-4-formamidopyrrole-2-carboxamide.
Chemical Property Profile of 1,2,3-Trihomodistamycin A
Property Insights of 1,2,3-Trihomodistamycin A
The XLogP value of -0.9 indicates that 1,2,3-Trihomodistamycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 1,2,3-Trihomodistamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Trihomodistamycin A has 6 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 1,2,3-Trihomodistamycin A?
The CAS number of 1,2,3-Trihomodistamycin A is 85407-04-1.
What is the molecular formula of 1,2,3-Trihomodistamycin A?
The molecular formula of 1,2,3-Trihomodistamycin A is C25H33N9O4.
What is the molecular weight of 1,2,3-Trihomodistamycin A?
The molecular weight of 1,2,3-Trihomodistamycin A is 523.27 g/mol.
Where can I buy 1,2,3-Trihomodistamycin A?
You can request a quote for 1,2,3-Trihomodistamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trihomodistamycin A?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trihomodistamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.