3-Homodistamycin A
TL;DR: 3-Homodistamycin A (CAS 85407-02-9) is a chemical compound with molecular formula C23H29N9O4 and molecular weight 495.23 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-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide
Also Known As: 3-Homodistamycin A, N-(5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamide, 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide, N-(3-Amino-3-iminopropyl)-1-ethyl-4-[4-(4-formamido-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido]-1H-pyrrole-2-carboxamide
| Molecular Formula | C23H29N9O4 |
|---|---|
| Molecular Weight | 495.23 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.23425 |
| Heavy Atoms | 36 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 85407-02-9 |
|---|---|
| SMILES | CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC=O |
| InChIKey | BYNQFSWVCJWYGA-UHFFFAOYSA-N |
Product Overview
3-Homodistamycin A (CAS 85407-02-9), with molecular formula C23H29N9O4 and molecular weight 495.23 g/mol. IUPAC: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide.
Chemical Property Profile of 3-Homodistamycin A
Property Insights of 3-Homodistamycin A
The XLogP value of -1.5 indicates that 3-Homodistamycin 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 3-Homodistamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Homodistamycin 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 3-Homodistamycin A?
The CAS number of 3-Homodistamycin A is 85407-02-9.
What is the molecular formula of 3-Homodistamycin A?
The molecular formula of 3-Homodistamycin A is C23H29N9O4.
What is the molecular weight of 3-Homodistamycin A?
The molecular weight of 3-Homodistamycin A is 495.23 g/mol.
Where can I buy 3-Homodistamycin A?
You can request a quote for 3-Homodistamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Homodistamycin A?
Yes, KEHONG BIO provides custom synthesis services for 3-Homodistamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.