2,3-Di-exo-methylencepham
TL;DR: 2,3-Di-exo-methylencepham (CAS 847-22-3) is a chemical compound with molecular formula C28H24N2O4S2 and molecular weight 516.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl (6R,7R)-3,4-dimethylidene-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Also Known As: 2,3-Dxme, 2,3-Di-exo-methylencepham, benzhydryl (6R,7R)-3,4-dimethylidene-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate, 5-Thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, 3,4-bis(methylene)-8-oxo-7-((2-thienylacetyl)amino)-, diphenylmethyl ester, (6R-(6alpha,7beta))-, diphenylmethyl 7-(2-thienylacetamido)-2,3-dimethylenecepham-4-carboxylate
| Molecular Formula | C28H24N2O4S2 |
|---|---|
| Molecular Weight | 516.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.11774 |
| Heavy Atoms | 36 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 847-22-3 |
|---|---|
| SMILES | C=C1C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | GNOIMVIYXFSDID-GJQXLMDHSA-N |
Product Overview
2,3-Di-exo-methylencepham (CAS 847-22-3), with molecular formula C28H24N2O4S2 and molecular weight 516.12 g/mol. IUPAC: benzhydryl (6R,7R)-3,4-dimethylidene-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate.
Chemical Property Profile of 2,3-Di-exo-methylencepham
Property Insights of 2,3-Di-exo-methylencepham
The XLogP value of 4.8 indicates that 2,3-Di-exo-methylencepham is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Di-exo-methylencepham. Following Lipinski's Rule of Five, 2,3-Di-exo-methylencepham has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Di-exo-methylencepham?
The CAS number of 2,3-Di-exo-methylencepham is 847-22-3.
What is the molecular formula of 2,3-Di-exo-methylencepham?
The molecular formula of 2,3-Di-exo-methylencepham is C28H24N2O4S2.
What is the molecular weight of 2,3-Di-exo-methylencepham?
The molecular weight of 2,3-Di-exo-methylencepham is 516.12 g/mol.
Where can I buy 2,3-Di-exo-methylencepham?
You can request a quote for 2,3-Di-exo-methylencepham directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Di-exo-methylencepham?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Di-exo-methylencepham and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.