Cephabacin M3
TL;DR: Cephabacin M3 (CAS 99313-75-4) is a chemical compound with molecular formula C37H60N10O16S and molecular weight 932.39 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)-2-aminopropanoyl]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 M3, Cephabacin M(sub 3), L-Valinamide, L-alanyl-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*)))-, (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]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
| Molecular Formula | C37H60N10O16S |
|---|---|
| Molecular Weight | 932.39 g/mol |
| LogP | -5.8755 |
| Topological Polar Surface Area | 437.55 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Exact Mass | 932.3909 |
| Heavy Atoms | 64 |
| Complexity | 1800.3055 |
Chemical Identifiers
| CAS Number | 99313-75-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C(C)C)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)N |
Product Overview
Cephabacin M3 (CAS 99313-75-4), with molecular formula C37H60N10O16S and molecular weight 932.39 g/mol. IUPAC: (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]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 M3
Property Insights of Cephabacin M3
The XLogP value of -5.8755 indicates that Cephabacin M3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 437.55 Ų indicates high polarity, suggesting Cephabacin M3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M3 has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephabacin M3?
The CAS number of Cephabacin M3 is 99313-75-4.
What is the molecular formula of Cephabacin M3?
The molecular formula of Cephabacin M3 is C37H60N10O16S.
What is the molecular weight of Cephabacin M3?
The molecular weight of Cephabacin M3 is 932.39 g/mol.
Where can I buy Cephabacin M3?
You can request a quote for Cephabacin M3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M3?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.