Benzylpenicilloylformyllysine
TL;DR: Benzylpenicilloylformyllysine (CAS 5097-00-7) is a chemical compound with molecular formula C23H30CaN4O7S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[(1R)-2-[[(5S)-5-carboxylato-5-formamidopentyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Also Known As: Benzylpenicilloylformyllysine, Ro 6-0787, N-epsilon-Benzoylpenicilloyl-alpha-formyl-L-lysine, calcium;2-[(1R)-2-[[(5S)-5-carboxylato-5-formamidopentyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate, calcium 2-[(R)-[(5S)-5-carboxylato-5-formamido-pentyl]carbamoyl-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-thiazolidine-4-carboxylate
| Molecular Formula | C23H30CaN4O7S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | -2.9563 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.1461 |
| Heavy Atoms | 36 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 5097-00-7 |
|---|---|
| SMILES | CC1(C(NC(S1)[C@@H](C(=O)NCCCC[C@@H](C(=O)[O-])NC=O)NC(=O)CC2=CC=CC=C2)C(=O)[O-])C.[Ca+2] |
| InChIKey | OGEITEPYBFJQMK-FJTAZTEFSA-L |
Product Overview
Benzylpenicilloylformyllysine (CAS 5097-00-7), with molecular formula C23H30CaN4O7S and molecular weight 546.15 g/mol. IUPAC: calcium 2-[(1R)-2-[[(5S)-5-carboxylato-5-formamidopentyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
Chemical Property Profile of Benzylpenicilloylformyllysine
Property Insights of Benzylpenicilloylformyllysine
The XLogP value of -2.9563 indicates that Benzylpenicilloylformyllysine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Benzylpenicilloylformyllysine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzylpenicilloylformyllysine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylpenicilloylformyllysine?
The CAS number of Benzylpenicilloylformyllysine is 5097-00-7.
What is the molecular formula of Benzylpenicilloylformyllysine?
The molecular formula of Benzylpenicilloylformyllysine is C23H30CaN4O7S.
What is the molecular weight of Benzylpenicilloylformyllysine?
The molecular weight of Benzylpenicilloylformyllysine is 546.15 g/mol.
Where can I buy Benzylpenicilloylformyllysine?
You can request a quote for Benzylpenicilloylformyllysine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylpenicilloylformyllysine?
Yes, KEHONG BIO provides custom synthesis services for Benzylpenicilloylformyllysine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.