Cephabacin M2
TL;DR: Cephabacin M2 (CAS 99313-76-5) is a chemical compound with molecular formula C34H55N9O15S and molecular weight 861.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephabacin M2, Cephabacin M(sub 2), (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, L-Valinamide, N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(2-amino-2-oxoethyl)-2-hydroxy-4-oxobutyl)-L-ornithyl-L-seryl- (6R-(6-alpha,7-alpha,7(R*)))-
| Molecular Formula | C34H55N9O15S |
|---|---|
| Molecular Weight | 861.35 g/mol |
| LogP | -5.3802 |
| Topological Polar Surface Area | 408.45 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 861.3538 |
| Heavy Atoms | 59 |
| Complexity | 1632.0211 |
Chemical Identifiers
| CAS Number | 99313-76-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CO)N)NC(CC(=O)N)C(CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC1)C(=O)O)O |
Product Overview
Cephabacin M2 (CAS 99313-76-5), with molecular formula C34H55N9O15S and molecular weight 861.35 g/mol. IUPAC: (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephabacin M2
Property Insights of Cephabacin M2
The XLogP value of -5.3802 indicates that Cephabacin M2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 408.45 Ų indicates high polarity, suggesting Cephabacin M2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M2 has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephabacin M2?
The CAS number of Cephabacin M2 is 99313-76-5.
What is the molecular formula of Cephabacin M2?
The molecular formula of Cephabacin M2 is C34H55N9O15S.
What is the molecular weight of Cephabacin M2?
The molecular weight of Cephabacin M2 is 861.35 g/mol.
Where can I buy Cephabacin M2?
You can request a quote for Cephabacin M2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M2?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.