Libecillide
TL;DR: Libecillide (CAS 27826-45-5) is a chemical compound with molecular formula C23H32N4O7S and molecular weight 508.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5-carboxy-5-formamidopentyl)amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Libecillide, libecilida, Libecillide [INN], N6-(Benzyl--penicilloyl)-N2-formyl-L-lysine, N6-(Benzyl-alpha-penicilloyl)-N2-formyl-L-lysine
| Molecular Formula | C23H32N4O7S |
|---|---|
| Molecular Weight | 508.20 g/mol |
| LogP | 0.0939 |
| Topological Polar Surface Area | 173.93 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 508.19916 |
| Heavy Atoms | 35 |
| Complexity | 912.3907 |
Chemical Identifiers
| CAS Number | 27826-45-5 |
|---|---|
| SMILES | CC1(C(NC(S1)C(C(=O)NCCCCC(C(=O)O)NC=O)NC(=O)CC2=CC=CC=C2)C(=O)O)C |
Product Overview
Libecillide (CAS 27826-45-5), with molecular formula C23H32N4O7S and molecular weight 508.20 g/mol. IUPAC: 2-[2-[(5-carboxy-5-formamidopentyl)amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of Libecillide
Property Insights of Libecillide
The XLogP value of 0.0939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Libecillide. The TPSA of 173.93 Ų indicates high polarity, suggesting Libecillide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Libecillide has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Libecillide?
The CAS number of Libecillide is 27826-45-5.
What is the molecular formula of Libecillide?
The molecular formula of Libecillide is C23H32N4O7S.
What is the molecular weight of Libecillide?
The molecular weight of Libecillide is 508.20 g/mol.
Where can I buy Libecillide?
You can request a quote for Libecillide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Libecillide?
Yes, KEHONG BIO provides custom synthesis services for Libecillide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.