N-Pyrrolylpenicillin
TL;DR: N-Pyrrolylpenicillin (CAS 136994-95-1) is a chemical compound with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: N-Pyrrolylpenicillin, KST-1A1213, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-1-azabicyclo(3.2.0)heptane-3,3-dimethyl-6-amino-7-oxo-N(2-(1H-pyrrolyl)acetyl)-2-carboxylic acid
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 136994-95-1 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3CCCC3)C(=O)O)C |
| InChIKey | CCWDECLVVCXCKS-JFGNBEQYSA-N |
Product Overview
N-Pyrrolylpenicillin (CAS 136994-95-1), with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-pyrrolidin-1-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of N-Pyrrolylpenicillin
Property Insights of N-Pyrrolylpenicillin
The XLogP value of -1.3 indicates that N-Pyrrolylpenicillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Pyrrolylpenicillin. Following Lipinski's Rule of Five, N-Pyrrolylpenicillin 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 N-Pyrrolylpenicillin?
The CAS number of N-Pyrrolylpenicillin is 136994-95-1.
What is the molecular formula of N-Pyrrolylpenicillin?
The molecular formula of N-Pyrrolylpenicillin is C14H21N3O4S.
What is the molecular weight of N-Pyrrolylpenicillin?
The molecular weight of N-Pyrrolylpenicillin is 327.13 g/mol.
Where can I buy N-Pyrrolylpenicillin?
You can request a quote for N-Pyrrolylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Pyrrolylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for N-Pyrrolylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.