Anthelvencine A, salicylate (1:2)
TL;DR: Anthelvencine A, salicylate (1:2) (CAS 11020-70-5) is a chemical compound with molecular formula C33H37N9O9 and molecular weight 703.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide;bis(2-hydroxybenzoic acid)
Also Known As: Anthelvencine A, salicylate (1:2), 2-Hydroxybenzoic acid--4-{4-[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carboxamido]-1H-pyrrole-2-carboxamido}-N-(3-amino-3-iminopropyl)-1-methyl-1H-pyrrole-2-carboxamide (2/1), 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide; 2-hydroxybenzoic acid, RefChem:319695
| Molecular Formula | C33H37N9O9 |
|---|---|
| Molecular Weight | 703.27 g/mol |
| LogP | 2.30027 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 703.2714 |
| Heavy Atoms | 51 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 11020-70-5 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N.C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O |
| InChIKey | YVTGZWONIMMQCV-LTCKWSDVSA-N |
Product Overview
Anthelvencine A, salicylate (1:2) (CAS 11020-70-5), with molecular formula C33H37N9O9 and molecular weight 703.27 g/mol. IUPAC: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide;bis(2-hydroxybenzoic acid).
Chemical Property Profile of Anthelvencine A, salicylate (1:2)
Property Insights of Anthelvencine A, salicylate (1:2)
The XLogP value of 2.30027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthelvencine A, salicylate (1:2). The TPSA of 311.0 Ų indicates high polarity, suggesting Anthelvencine A, salicylate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthelvencine A, salicylate (1:2) has 11 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthelvencine A, salicylate (1:2)?
The CAS number of Anthelvencine A, salicylate (1:2) is 11020-70-5.
What is the molecular formula of Anthelvencine A, salicylate (1:2)?
The molecular formula of Anthelvencine A, salicylate (1:2) is C33H37N9O9.
What is the molecular weight of Anthelvencine A, salicylate (1:2)?
The molecular weight of Anthelvencine A, salicylate (1:2) is 703.27 g/mol.
Where can I buy Anthelvencine A, salicylate (1:2)?
You can request a quote for Anthelvencine A, salicylate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthelvencine A, salicylate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Anthelvencine A, salicylate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.