Einecs 246-491-7
TL;DR: Einecs 246-491-7 (CAS 24840-26-4) is a chemical compound with molecular formula C22H33N7O6S and molecular weight 523.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: EINECS 246-491-7, 6-(2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with L-arginine, (2S,5R,6R)-6-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--arginine (1/1), 2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, compound with L-arginine
| Molecular Formula | C22H33N7O6S |
|---|---|
| Molecular Weight | 523.22 g/mol |
| LogP | -1.23 |
| Topological Polar Surface Area | 240.45 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.2213 |
| Heavy Atoms | 36 |
| Complexity | 1001.86084 |
Chemical Identifiers
| CAS Number | 24840-26-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.C(CC(C(=O)O)N)CN=C(N)N |
Product Overview
Einecs 246-491-7 (CAS 24840-26-4), with molecular formula C22H33N7O6S and molecular weight 523.22 g/mol. IUPAC: 2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Einecs 246-491-7
Property Insights of Einecs 246-491-7
The XLogP value of -1.23 indicates that Einecs 246-491-7 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.45 Ų indicates high polarity, suggesting Einecs 246-491-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 246-491-7 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 246-491-7?
The CAS number of Einecs 246-491-7 is 24840-26-4.
What is the molecular formula of Einecs 246-491-7?
The molecular formula of Einecs 246-491-7 is C22H33N7O6S.
What is the molecular weight of Einecs 246-491-7?
The molecular weight of Einecs 246-491-7 is 523.22 g/mol.
Where can I buy Einecs 246-491-7?
You can request a quote for Einecs 246-491-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 246-491-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 246-491-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.