EINECS 249-454-3
TL;DR: EINECS 249-454-3 (CAS 29124-83-2) is a chemical compound with molecular formula C15H15N3O5S and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: EINECS 249-454-3, (4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,6beta)-7alpha-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester, p-Nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, P-NITROBENZYL (6R-TRANS)-7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
| Molecular Formula | C15H15N3O5S |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 1.1544 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07324 |
| Heavy Atoms | 24 |
| Complexity | 745.9813 |
Chemical Identifiers
| CAS Number | 29124-83-2 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
EINECS 249-454-3 (CAS 29124-83-2), with molecular formula C15H15N3O5S and molecular weight 349.07 g/mol. IUPAC: (4-nitrophenyl)methyl (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of EINECS 249-454-3
Property Insights of EINECS 249-454-3
The XLogP value of 1.1544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-454-3. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 249-454-3. Following Lipinski's Rule of Five, EINECS 249-454-3 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 249-454-3?
The CAS number of EINECS 249-454-3 is 29124-83-2.
What is the molecular formula of EINECS 249-454-3?
The molecular formula of EINECS 249-454-3 is C15H15N3O5S.
What is the molecular weight of EINECS 249-454-3?
The molecular weight of EINECS 249-454-3 is 349.07 g/mol.
Where can I buy EINECS 249-454-3?
You can request a quote for EINECS 249-454-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-454-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-454-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.