C 2801X
TL;DR: C 2801X (CAS 56083-50-2) is a chemical compound with molecular formula C25H29N3O12S and molecular weight 595.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(Z)-3-(3,4-dihydroxyphenyl)-2-methoxyprop-2-enoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Antibiotic C-2801X, 3 -Hydroxycephamycin B, C 2801X, C-2801X, (6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(Z)-3-(3,4-dihydroxyphenyl)-2-methoxyprop-2-enoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C25H29N3O12S |
|---|---|
| Molecular Weight | 595.15 g/mol |
| LogP | -0.0768 |
| Topological Polar Surface Area | 235.25 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 595.1472 |
| Heavy Atoms | 41 |
| Complexity | 1312.4915 |
Chemical Identifiers
| CAS Number | 56083-50-2 |
|---|---|
| SMILES | CO/C(=C\C1=CC(=C(C=C1)O)O)/C(=O)OCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC2)C(=O)O |
Product Overview
C 2801X (CAS 56083-50-2), with molecular formula C25H29N3O12S and molecular weight 595.15 g/mol. IUPAC: (6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(Z)-3-(3,4-dihydroxyphenyl)-2-methoxyprop-2-enoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of C 2801X
Property Insights of C 2801X
The XLogP value of -0.0768 indicates that C 2801X is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.25 Ų indicates high polarity, suggesting C 2801X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C 2801X has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C 2801X?
The CAS number of C 2801X is 56083-50-2.
What is the molecular formula of C 2801X?
The molecular formula of C 2801X is C25H29N3O12S.
What is the molecular weight of C 2801X?
The molecular weight of C 2801X is 595.15 g/mol.
Where can I buy C 2801X?
You can request a quote for C 2801X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C 2801X?
Yes, KEHONG BIO provides custom synthesis services for C 2801X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.