EINECS 259-267-9
TL;DR: EINECS 259-267-9 (CAS 54639-52-0) is a chemical compound with molecular formula C29H26N2O6S and molecular weight 530.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl (6R,7R)-3-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: EINECS 259-267-9, Diphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, benzhydryl (6R,7R)-3-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 7beta-phenoxyacetamido-3-methoxy-ceph-3-em-4-carboxylic acid diphenylmethyl ester, (6R,7R)-3-Methoxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
| Molecular Formula | C29H26N2O6S |
|---|---|
| Molecular Weight | 530.15 g/mol |
| LogP | 3.6561 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.1512 |
| Heavy Atoms | 38 |
| Complexity | 1293.4489 |
Chemical Identifiers
| CAS Number | 54639-52-0 |
|---|---|
| SMILES | COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
EINECS 259-267-9 (CAS 54639-52-0), with molecular formula C29H26N2O6S and molecular weight 530.15 g/mol. IUPAC: benzhydryl (6R,7R)-3-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of EINECS 259-267-9
Property Insights of EINECS 259-267-9
The XLogP value of 3.6561 indicates that EINECS 259-267-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-267-9. Following Lipinski's Rule of Five, EINECS 259-267-9 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 259-267-9?
The CAS number of EINECS 259-267-9 is 54639-52-0.
What is the molecular formula of EINECS 259-267-9?
The molecular formula of EINECS 259-267-9 is C29H26N2O6S.
What is the molecular weight of EINECS 259-267-9?
The molecular weight of EINECS 259-267-9 is 530.15 g/mol.
Where can I buy EINECS 259-267-9?
You can request a quote for EINECS 259-267-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-267-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-267-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.