Benethamine Penicillin
TL;DR: Benethamine Penicillin (CAS 751-84-8) is a chemical compound with molecular formula C31H35N3O4S and molecular weight 545.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-phenylethanamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Benethamine penicillin, Benetacil, Benetolin, Benapen, Betapen
| Molecular Formula | C31H35N3O4S |
|---|---|
| Molecular Weight | 545.23 g/mol |
| LogP | 3.88 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.2348 |
| Heavy Atoms | 39 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 751-84-8 |
|---|---|
| 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)CCNCC2=CC=CC=C2 |
| InChIKey | JAQPGQYDZJZOIN-LQDWTQKMSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benethamine Penicillin (CAS 751-84-8), with molecular formula C31H35N3O4S and molecular weight 545.23 g/mol. IUPAC: N-benzyl-2-phenylethanamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Benethamine Penicillin
Property Insights of Benethamine Penicillin
The XLogP value of 3.88 indicates that Benethamine Penicillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benethamine Penicillin. Following Lipinski's Rule of Five, Benethamine Penicillin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benethamine Penicillin?
The CAS number of Benethamine Penicillin is 751-84-8.
What is the molecular formula of Benethamine Penicillin?
The molecular formula of Benethamine Penicillin is C31H35N3O4S.
What is the molecular weight of Benethamine Penicillin?
The molecular weight of Benethamine Penicillin is 545.23 g/mol.
Where can I buy Benethamine Penicillin?
You can request a quote for Benethamine Penicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benethamine Penicillin?
Yes, KEHONG BIO provides custom synthesis services for Benethamine Penicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.