Rotamicillin
TL;DR: Rotamicillin (CAS 55530-41-1) is a chemical compound with molecular formula C28H31N5O5S and molecular weight 549.20 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-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Rotamicillin, Rotamicilline, Rotamicillina, Rotamicillinum, rotamicilina
| Molecular Formula | C28H31N5O5S |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 1.4582 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.2046 |
| Heavy Atoms | 39 |
| Complexity | 1313.3837 |
Chemical Identifiers
| CAS Number | 55530-41-1 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=NCCCN5)C(=O)O)C |
Product Overview
Rotamicillin (CAS 55530-41-1), with molecular formula C28H31N5O5S and molecular weight 549.20 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Rotamicillin
Property Insights of Rotamicillin
The XLogP value of 1.4582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rotamicillin. The TPSA of 140.2 Ų indicates high polarity, suggesting Rotamicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rotamicillin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rotamicillin?
The CAS number of Rotamicillin is 55530-41-1.
What is the molecular formula of Rotamicillin?
The molecular formula of Rotamicillin is C28H31N5O5S.
What is the molecular weight of Rotamicillin?
The molecular weight of Rotamicillin is 549.20 g/mol.
Where can I buy Rotamicillin?
You can request a quote for Rotamicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotamicillin?
Yes, KEHONG BIO provides custom synthesis services for Rotamicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.