EINECS 249-456-4
TL;DR: EINECS 249-456-4 (CAS 29126-12-3) is a chemical compound with molecular formula C29H26N2O4S and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: diphenylmethyl(6r,7r)-3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, (7R)-7-(Phenylacetylamino)-3-methylcepham-3-ene-4-carboxylic acid diphenylmethyl ester, diphenylmethyl -3-methyl-8-oxo-7- -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C29H26N2O4S |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.16132 |
| Heavy Atoms | 36 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 29126-12-3 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | KRSQRWDTNJRUNK-UFHPHHKVSA-N |
Product Overview
EINECS 249-456-4 (CAS 29126-12-3), with molecular formula C29H26N2O4S and molecular weight 498.16 g/mol. IUPAC: benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of EINECS 249-456-4
Property Insights of EINECS 249-456-4
The XLogP value of 4.4 indicates that EINECS 249-456-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 249-456-4. Following Lipinski's Rule of Five, EINECS 249-456-4 has 1 hydrogen bond donor(s) and 5 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 249-456-4?
The CAS number of EINECS 249-456-4 is 29126-12-3.
What is the molecular formula of EINECS 249-456-4?
The molecular formula of EINECS 249-456-4 is C29H26N2O4S.
What is the molecular weight of EINECS 249-456-4?
The molecular weight of EINECS 249-456-4 is 498.16 g/mol.
Where can I buy EINECS 249-456-4?
You can request a quote for EINECS 249-456-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-456-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-456-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.