MT2Awm9Y3J
TL;DR: MT2Awm9Y3J (CAS 177409-60-8) is a chemical compound with molecular formula C30H37Br3N12O4 and molecular weight 866.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-amino-3-iminopropyl)-3-[[3-[[4-[[4-[bis(2-bromoethyl)amino]benzoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrazole-5-carbonyl]amino]-1-methylpyrazole-5-carboxamide;hydrobromide
Also Known As: 1H-Pyrazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrazol-3-yl)-3-(((4-((4-(bis(2-bromoethyl)amino)benzoyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrobromide (1:1), 1H-Pyrazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrazol-3-yl)-3-(((4-((4-(bis(2-bromoethyl)amino)benzoyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrobromide, N-(3-Amino-3-iminopropyl)-5-((5-((4-((4-(bis(2-bromoethyl)amino)benzoyl)amino)-1-methylpyrrole-2-carbonyl)amino)-2-methylpyrazole-3-carbonyl)amino)-2-methylpyrazole-3-carboxamide;hydrobromide
| Molecular Formula | C30H37Br3N12O4 |
|---|---|
| Molecular Weight | 866.06 g/mol |
| LogP | 3.47897 |
| Topological Polar Surface Area | 210.08 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 866.0611 |
| Heavy Atoms | 49 |
| Complexity | 1810.3264 |
Chemical Identifiers
| CAS Number | 177409-60-8 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=NN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)N(CCBr)CCBr.Br |
Product Overview
MT2Awm9Y3J (CAS 177409-60-8), with molecular formula C30H37Br3N12O4 and molecular weight 866.06 g/mol. IUPAC: N-(3-amino-3-iminopropyl)-3-[[3-[[4-[[4-[bis(2-bromoethyl)amino]benzoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrazole-5-carbonyl]amino]-1-methylpyrazole-5-carboxamide;hydrobromide.
Chemical Property Profile of MT2Awm9Y3J
Property Insights of MT2Awm9Y3J
The XLogP value of 3.47897 indicates that MT2Awm9Y3J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.08 Ų indicates high polarity, suggesting MT2Awm9Y3J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MT2Awm9Y3J has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MT2Awm9Y3J?
The CAS number of MT2Awm9Y3J is 177409-60-8.
What is the molecular formula of MT2Awm9Y3J?
The molecular formula of MT2Awm9Y3J is C30H37Br3N12O4.
What is the molecular weight of MT2Awm9Y3J?
The molecular weight of MT2Awm9Y3J is 866.06 g/mol.
Where can I buy MT2Awm9Y3J?
You can request a quote for MT2Awm9Y3J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MT2Awm9Y3J?
Yes, KEHONG BIO provides custom synthesis services for MT2Awm9Y3J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.