Penicillin G benzhydrylamine
TL;DR: Penicillin G benzhydrylamine (CAS 1538-11-0) is a chemical compound with molecular formula C29H31N3O4S and molecular weight 517.20355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;diphenylmethanamine
Also Known As: Penicillin G benzhydrylamine, Orencil hydrochloride, LONGFACILINA, ORENCIL, PENIDRYL
Technical Specifications
| Molecular Formula | C29H31N3O4S |
| Molecular Weight | 517.20355 g/mol |
| XLogP | 3.5955 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.20355 Da |
| Heavy Atoms | 37 |
| Complexity | 667.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)N |
| InChIKey | QCFJTUGHFMTKSB-LQDWTQKMSA-N |
Chemical Property Profile of Penicillin G benzhydrylamine
Property Insights of Penicillin G benzhydrylamine
The XLogP value of 3.5955 indicates that Penicillin G benzhydrylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillin G benzhydrylamine. Following Lipinski's Rule of Five, Penicillin G benzhydrylamine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Penicillin G benzhydrylamine?
The CAS number of Penicillin G benzhydrylamine is 1538-11-0.
What is the molecular formula of Penicillin G benzhydrylamine?
The molecular formula of Penicillin G benzhydrylamine is C29H31N3O4S.
What is the molecular weight of Penicillin G benzhydrylamine?
The molecular weight of Penicillin G benzhydrylamine is 517.20355 g/mol.
Where can I buy Penicillin G benzhydrylamine?
You can request a quote for Penicillin G benzhydrylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Penicillin G benzhydrylamine?
Yes, CoreyChem provides custom synthesis services for Penicillin G benzhydrylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.