Benzamidomethyl benzylpenicillinate
TL;DR: Benzamidomethyl benzylpenicillinate (CAS 51164-88-6) is a chemical compound with molecular formula C24H25N3O5S and molecular weight 467.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Benzamidomethyl benzylpenicillinate, Benzylpenicillin-benzamidomethyl ester, KST-1A5875, KST-1A5876, FI 7303
| Molecular Formula | C24H25N3O5S |
|---|---|
| Molecular Weight | 467.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.1515 |
| Heavy Atoms | 33 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 51164-88-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCNC(=O)C4=CC=CC=C4)C |
| InChIKey | VBKUADJCSIVGOW-XQBPLPMBSA-N |
Product Overview
Benzamidomethyl benzylpenicillinate (CAS 51164-88-6), with molecular formula C24H25N3O5S and molecular weight 467.15 g/mol. IUPAC: benzamidomethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Benzamidomethyl benzylpenicillinate
Property Insights of Benzamidomethyl benzylpenicillinate
The XLogP value of 3.2 indicates that Benzamidomethyl benzylpenicillinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamidomethyl benzylpenicillinate. Following Lipinski's Rule of Five, Benzamidomethyl benzylpenicillinate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzamidomethyl benzylpenicillinate?
The CAS number of Benzamidomethyl benzylpenicillinate is 51164-88-6.
What is the molecular formula of Benzamidomethyl benzylpenicillinate?
The molecular formula of Benzamidomethyl benzylpenicillinate is C24H25N3O5S.
What is the molecular weight of Benzamidomethyl benzylpenicillinate?
The molecular weight of Benzamidomethyl benzylpenicillinate is 467.15 g/mol.
Where can I buy Benzamidomethyl benzylpenicillinate?
You can request a quote for Benzamidomethyl benzylpenicillinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamidomethyl benzylpenicillinate?
Yes, KEHONG BIO provides custom synthesis services for Benzamidomethyl benzylpenicillinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.