Cephabacin M5
TL;DR: Cephabacin M5 (CAS 99332-95-3) is a chemical compound with molecular formula C44H74N12O17S and molecular weight 1074.50 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-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]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 M5, Cephabacin M(sub 5), 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-seryl-L-ornithyl-L-valyl-L-ornithyl-, (6R-(6-alpha,7-alpha,7(R*)))-, (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]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, (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Seryl-L-Orni
| Molecular Formula | C44H74N12O17S |
|---|---|
| Molecular Weight | 1074.50 g/mol |
| LogP | -6.0157 |
| Topological Polar Surface Area | 492.67 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 34 |
| Exact Mass | 1074.5016 |
| Heavy Atoms | 74 |
| Complexity | 2081.3064 |
Chemical Identifiers
| CAS Number | 99332-95-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)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 M5 (CAS 99332-95-3), with molecular formula C44H74N12O17S and molecular weight 1074.50 g/mol. IUPAC: (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]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 M5
Property Insights of Cephabacin M5
The XLogP value of -6.0157 indicates that Cephabacin M5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 492.67 Ų indicates high polarity, suggesting Cephabacin M5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M5 has 15 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephabacin M5?
The CAS number of Cephabacin M5 is 99332-95-3.
What is the molecular formula of Cephabacin M5?
The molecular formula of Cephabacin M5 is C44H74N12O17S.
What is the molecular weight of Cephabacin M5?
The molecular weight of Cephabacin M5 is 1074.50 g/mol.
Where can I buy Cephabacin M5?
You can request a quote for Cephabacin M5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M5?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.