Cephabacin M4
TL;DR: Cephabacin M4 (CAS 99313-74-3) is a chemical compound with molecular formula C41H69N11O15S and molecular weight 987.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(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 M4, Cephabacin M(sub 4), 3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxypentanamido)-3-((8S,12S,15S,18S)-18,21-diamino-6-(2-amino-2-oxoethyl)-12-(3-aminopropyl)-5-hydroxy-8,15-diisopropyl-3,9,11,14,17-pentaoxo-2-oxa-7,10,13,16-tetraazahenicosyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(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 | C41H69N11O15S |
|---|---|
| Molecular Weight | 987.47 g/mol |
| LogP | -4.4928 |
| Topological Polar Surface Area | 443.34 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Exact Mass | 987.46954 |
| Heavy Atoms | 68 |
| Complexity | 1888.3876 |
Chemical Identifiers
| CAS Number | 99313-74-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN)N)NC(CC(=O)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCC(C(=O)O)N)OC)SC1)C(=O)O)O |
Product Overview
Cephabacin M4 (CAS 99313-74-3), with molecular formula C41H69N11O15S and molecular weight 987.47 g/mol. IUPAC: 3-[[6-amino-4-[[(2S)-1-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(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 M4
Property Insights of Cephabacin M4
The XLogP value of -4.4928 indicates that Cephabacin M4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.34 Ų indicates high polarity, suggesting Cephabacin M4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M4 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 M4?
The CAS number of Cephabacin M4 is 99313-74-3.
What is the molecular formula of Cephabacin M4?
The molecular formula of Cephabacin M4 is C41H69N11O15S.
What is the molecular weight of Cephabacin M4?
The molecular weight of Cephabacin M4 is 987.47 g/mol.
Where can I buy Cephabacin M4?
You can request a quote for Cephabacin M4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M4?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.