penicillin deriv. 4
TL;DR: penicillin deriv. 4 (CAS 142762-74-1) is a chemical compound with molecular formula C48H58N8O6S2 and molecular weight 906.3921 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: penicillin deriv. 4, Penicillin Et(NH)2 Sym dimer, 2-Thiazolidineacetamide, 4,4'-(1,2-ethanediylbis(iminocarbonyl))bis(5,5-dimethyl-alpha-((phenylacetyl)amino)-N-(phenylmethyl)-, (2R-(2alpha(R*),4beta(2'R*(R*),4'S*)))-, (2R-(2alpha(R),4beta))-4,4'-(1,2-Ethanediylbis(aminocarbonyl))bis(N-benzyl-5,5-dimethyl-alpha((phenylacetyl)amino)-2-thiazolidineacetamide), (2R,2'R,4S,4'S)-N,N'-(Ethane-1,2-diyl)bis{2-[(1R)-2-(benzylamino)-2-oxo-1-(2-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide}
Technical Specifications
| Molecular Formula | C48H58N8O6S2 |
| Molecular Weight | 906.3921 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 906.3921 Da |
| Heavy Atoms | 64 |
| Complexity | 1460.0 |
| SMILES | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)NCCNC(=O)[C@H]4C(S[C@@H](N4)[C@@H](C(=O)NCC5=CC=CC=C5)NC(=O)CC6=CC=CC=C6)(C)C)C |
| InChIKey | RSEVSRUJHNNIBW-UWLABFHASA-N |
Chemical Property Profile of penicillin deriv. 4
Property Insights of penicillin deriv. 4
The XLogP value of 4.1 indicates that penicillin deriv. 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting penicillin deriv. 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, penicillin deriv. 4 has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of penicillin deriv. 4?
The CAS number of penicillin deriv. 4 is 142762-74-1.
What is the molecular formula of penicillin deriv. 4?
The molecular formula of penicillin deriv. 4 is C48H58N8O6S2.
What is the molecular weight of penicillin deriv. 4?
The molecular weight of penicillin deriv. 4 is 906.3921 g/mol.
Where can I buy penicillin deriv. 4?
You can request a quote for penicillin deriv. 4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for penicillin deriv. 4?
Yes, CoreyChem provides custom synthesis services for penicillin deriv. 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.