Penicillin G dibenzylamine
TL;DR: Penicillin G dibenzylamine (CAS 7179-52-4) is a chemical compound with molecular formula C30H33N3O4S and molecular weight 531.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-phenylmethanamine;(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: Penicillin G dibenzylamine, DIBENZYLAMINE PENICILLIN G, Penicillin G dibenzylaminsalz, Penicillin G, dibenzylamine salt, Penicillin, compd. with dibenzylamine
| Molecular Formula | C30H33N3O4S |
|---|---|
| Molecular Weight | 531.22 g/mol |
| LogP | 3.8372 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.2192 |
| Heavy Atoms | 38 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 7179-52-4 |
|---|---|
| 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)CNCC2=CC=CC=C2 |
| InChIKey | UPYLDHVPOPTZGP-LQDWTQKMSA-N |
Product Overview
Penicillin G dibenzylamine (CAS 7179-52-4), with molecular formula C30H33N3O4S and molecular weight 531.22 g/mol. IUPAC: N-benzyl-1-phenylmethanamine;(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 Penicillin G dibenzylamine
Property Insights of Penicillin G dibenzylamine
The XLogP value of 3.8372 indicates that Penicillin G dibenzylamine 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 Penicillin G dibenzylamine. Following Lipinski's Rule of Five, Penicillin G dibenzylamine 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 Penicillin G dibenzylamine?
The CAS number of Penicillin G dibenzylamine is 7179-52-4.
What is the molecular formula of Penicillin G dibenzylamine?
The molecular formula of Penicillin G dibenzylamine is C30H33N3O4S.
What is the molecular weight of Penicillin G dibenzylamine?
The molecular weight of Penicillin G dibenzylamine is 531.22 g/mol.
Where can I buy Penicillin G dibenzylamine?
You can request a quote for Penicillin G dibenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin G dibenzylamine?
Yes, KEHONG BIO provides custom synthesis services for Penicillin G dibenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.