Brostallicin
TL;DR: Brostallicin (CAS 203258-60-0) is a chemical compound with molecular formula C30H35BrN12O5 and molecular weight 722.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
Also Known As: Brostallicin, brostalicina, brostallicine, brostallicinum, Brostallicin [INN]
| Molecular Formula | C30H35BrN12O5 |
|---|---|
| Molecular Weight | 722.20 g/mol |
| LogP | 1.6478 |
| Topological Polar Surface Area | 229.62 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 722.2037 |
| Heavy Atoms | 48 |
| Complexity | 1956.7797 |
Chemical Identifiers
| CAS Number | 203258-60-0 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br |
Product Overview
Brostallicin (CAS 203258-60-0), with molecular formula C30H35BrN12O5 and molecular weight 722.20 g/mol. IUPAC: 4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide.
Chemical Property Profile of Brostallicin
Property Insights of Brostallicin
The XLogP value of 1.6478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brostallicin. The TPSA of 229.62 Ų indicates high polarity, suggesting Brostallicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brostallicin 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 Brostallicin?
The CAS number of Brostallicin is 203258-60-0.
What is the molecular formula of Brostallicin?
The molecular formula of Brostallicin is C30H35BrN12O5.
What is the molecular weight of Brostallicin?
The molecular weight of Brostallicin is 722.20 g/mol.
Where can I buy Brostallicin?
You can request a quote for Brostallicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brostallicin?
Yes, KEHONG BIO provides custom synthesis services for Brostallicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.