L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
TL;DR: L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) (CAS 2886-33-1) is a chemical compound with molecular formula C25H27NO7S and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl (2S)-2-aminobutanedioate;4-methylbenzenesulfonic acid
Also Known As: H-Asp(OBzl)-OBzl.TosOH, h-asp(obzl)-obzl tosoh, TosOH, h-asp(obzl)-obzl tos, Asp(OBzl)-Obzl.TosOH
| Molecular Formula | C25H27NO7S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 3.43232 |
| Topological Polar Surface Area | 132.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.15082 |
| Heavy Atoms | 34 |
| Complexity | 1148.8882 |
Chemical Identifiers
| CAS Number | 2886-33-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)N |
Product Overview
L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) (CAS 2886-33-1), with molecular formula C25H27NO7S and molecular weight 485.15 g/mol. IUPAC: dibenzyl (2S)-2-aminobutanedioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
Property Insights of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
The XLogP value of 3.43232 indicates that L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.99 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) has 2 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 L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)?
The CAS number of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) is 2886-33-1.
What is the molecular formula of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)?
The molecular formula of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) is C25H27NO7S.
What is the molecular weight of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)?
The molecular weight of L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) is 485.15 g/mol.
Where can I buy L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)?
You can request a quote for L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for L-Aspartic acid, 1,4-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.