杖群海绵素
TL;DR: 杖群海绵素 (CAS 79638-16-7) is a chemical compound with molecular formula C22H24Br2N10O2 and molecular weight 618.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
杖群海绵素
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
Also Known As: Sceptrin, Sceptrine, Sceptrin base, Sceptrin dihydrochloride, 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
| Molecular Formula | C22H24Br2N10O2 |
|---|---|
| Molecular Weight | 618.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 618.04504 |
| Heavy Atoms | 36 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 79638-16-7 |
|---|---|
| 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 |
| InChIKey | YPZNLFZLPZWWAD-GWIYSAMLSA-N |
Product Overview
杖群海绵素 (CAS 79638-16-7), with molecular formula C22H24Br2N10O2 and molecular weight 618.05 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.
Chemical Property Profile of 杖群海绵素
Property Insights of 杖群海绵素
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 杖群海绵素. The TPSA of 199.0 Ų indicates high polarity, suggesting 杖群海绵素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 杖群海绵素 has 8 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 杖群海绵素?
The CAS number of 杖群海绵素 is 79638-16-7.
What is the molecular formula of 杖群海绵素?
The molecular formula of 杖群海绵素 is C22H24Br2N10O2.
What is the molecular weight of 杖群海绵素?
The molecular weight of 杖群海绵素 is 618.05 g/mol.
Where can I buy 杖群海绵素?
You can request a quote for 杖群海绵素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 杖群海绵素?
Yes, KEHONG BIO provides custom synthesis services for 杖群海绵素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.