RefChem:562908
TL;DR: RefChem:562908 (CAS 36775-31-2) is a chemical compound with molecular formula C18H25NO6S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-2-phenylacetic acid;[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Also Known As: Benzeneacetic acid, alpha-amino-, (alphaR)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonate, Benzeneacetic acid, alpha-amino-, (alphaR)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonate (1:1), (2R)-2-amino-2-phenylacetic acid; [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid, (R)-(Phenylacetyl)ammonium (1S)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulphonate, Benzeneacetic acid, .alpha.-amino-, (.alpha.R)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)
| Molecular Formula | C18H25NO6S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.0406 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.14026 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 36775-31-2 |
|---|---|
| SMILES | CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1=CC=C(C=C1)[C@H](C(=O)O)N |
| InChIKey | BSVPYMWMLYBQFS-QHZLGHJSSA-N |
Product Overview
RefChem:562908 (CAS 36775-31-2), with molecular formula C18H25NO6S and molecular weight 383.14 g/mol. IUPAC: (2R)-2-amino-2-phenylacetic acid;[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid.
Chemical Property Profile of RefChem:562908
Property Insights of RefChem:562908
The XLogP value of 2.0406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:562908. The TPSA of 143.0 Ų indicates high polarity, suggesting RefChem:562908 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:562908 has 3 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 RefChem:562908?
The CAS number of RefChem:562908 is 36775-31-2.
What is the molecular formula of RefChem:562908?
The molecular formula of RefChem:562908 is C18H25NO6S.
What is the molecular weight of RefChem:562908?
The molecular weight of RefChem:562908 is 383.14 g/mol.
Where can I buy RefChem:562908?
You can request a quote for RefChem:562908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:562908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:562908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.