Apalcillin
TL;DR: Apalcillin (CAS 64131-06-2) is a chemical compound with molecular formula C25H23N5O6S and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Apalcillin, apalcilina, Apalcilline, Apalcillinum, Apalcilina [INN-Spanish]
| Molecular Formula | C25H23N5O6S |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1369 |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 64131-06-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)C(C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CNC5=C(C4=O)N=CC=C5)C(=O)O)C |
| InChIKey | XMQVYNAURODYCQ-YSDJCIHPSA-N |
Product Overview
Apalcillin (CAS 64131-06-2), with molecular formula C25H23N5O6S and molecular weight 521.14 g/mol. IUPAC: (2S,5R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Apalcillin
Property Insights of Apalcillin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apalcillin. The TPSA of 183.0 Ų indicates high polarity, suggesting Apalcillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apalcillin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apalcillin?
The CAS number of Apalcillin is 64131-06-2.
What is the molecular formula of Apalcillin?
The molecular formula of Apalcillin is C25H23N5O6S.
What is the molecular weight of Apalcillin?
The molecular weight of Apalcillin is 521.14 g/mol.
Where can I buy Apalcillin?
You can request a quote for Apalcillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apalcillin?
Yes, KEHONG BIO provides custom synthesis services for Apalcillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.