Sceptrin Hydrochloride
TL;DR: Sceptrin Hydrochloride (CAS 79703-25-6) is a chemical compound with molecular formula C22H26Br2Cl2N10O2 and molecular weight 690.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide;dihydrochloride
Also Known As: Sceptrin, Sceptrin (HCl), Sceptrin dihydrochloride, Sceptrin Hydrochloride, Sceptrine dihydrochloride
| Molecular Formula | C22H26Br2Cl2N10O2 |
|---|---|
| Molecular Weight | 690.00 g/mol |
| LogP | 3.2954 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 689.9984 |
| Heavy Atoms | 38 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 79703-25-6 |
|---|---|
| SMILES | C1=C(NC=C1Br)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br.Cl.Cl |
| InChIKey | SFGZCXAQLPJJKC-WUYIMCQSSA-N |
Product Overview
Sceptrin Hydrochloride (CAS 79703-25-6), with molecular formula C22H26Br2Cl2N10O2 and molecular weight 690.00 g/mol. IUPAC: N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide;dihydrochloride.
Chemical Property Profile of Sceptrin Hydrochloride
Property Insights of Sceptrin Hydrochloride
The XLogP value of 3.2954 indicates that Sceptrin Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Sceptrin Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sceptrin Hydrochloride has 10 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 Sceptrin Hydrochloride?
The CAS number of Sceptrin Hydrochloride is 79703-25-6.
What is the molecular formula of Sceptrin Hydrochloride?
The molecular formula of Sceptrin Hydrochloride is C22H26Br2Cl2N10O2.
What is the molecular weight of Sceptrin Hydrochloride?
The molecular weight of Sceptrin Hydrochloride is 690.00 g/mol.
Where can I buy Sceptrin Hydrochloride?
You can request a quote for Sceptrin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sceptrin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Sceptrin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.