Brostallicin hydrochloride
TL;DR: Brostallicin hydrochloride (CAS 203258-38-2) is a chemical compound with molecular formula C30H36BrClN12O5 and molecular weight 758.18 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;hydrochloride
Also Known As: Brostallicin hydrochloride, Brostallicin, Brostacillin Hydrochloride, PNU 166196, PNU-166196 Hydrochloride
| Molecular Formula | C30H36BrClN12O5 |
|---|---|
| Molecular Weight | 758.18 g/mol |
| LogP | 2.0696 |
| Topological Polar Surface Area | 229.62 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 758.18036 |
| Heavy Atoms | 49 |
| Complexity | 1963.8223 |
Chemical Identifiers
| CAS Number | 203258-38-2 |
|---|---|
| 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.Cl |
Product Overview
Brostallicin hydrochloride (CAS 203258-38-2), with molecular formula C30H36BrClN12O5 and molecular weight 758.18 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;hydrochloride.
Chemical Property Profile of Brostallicin hydrochloride
Property Insights of Brostallicin hydrochloride
The XLogP value of 2.0696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brostallicin hydrochloride. The TPSA of 229.62 Ų indicates high polarity, suggesting Brostallicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brostallicin hydrochloride 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 hydrochloride?
The CAS number of Brostallicin hydrochloride is 203258-38-2.
What is the molecular formula of Brostallicin hydrochloride?
The molecular formula of Brostallicin hydrochloride is C30H36BrClN12O5.
What is the molecular weight of Brostallicin hydrochloride?
The molecular weight of Brostallicin hydrochloride is 758.18 g/mol.
Where can I buy Brostallicin hydrochloride?
You can request a quote for Brostallicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brostallicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Brostallicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.