D-Aspartic Acid 1-Benzyl Ester
TL;DR: D-Aspartic Acid 1-Benzyl Ester (CAS 6367-93-7) is a chemical compound with molecular formula C20H19NO3S2 and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: D-Aspartic Acid 1-Benzyl Ester, BAS 04378027, BIM-0022024.P001, methyl 2-methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C20H19NO3S2 |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 4.3442 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.08063 |
| Heavy Atoms | 26 |
| Complexity | 907.02277 |
Chemical Identifiers
| CAS Number | 6367-93-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CSC=C4)C(=O)OC |
Product Overview
D-Aspartic Acid 1-Benzyl Ester (CAS 6367-93-7), with molecular formula C20H19NO3S2 and molecular weight 385.08 g/mol. IUPAC: methyl 2-methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of D-Aspartic Acid 1-Benzyl Ester
Property Insights of D-Aspartic Acid 1-Benzyl Ester
The XLogP value of 4.3442 indicates that D-Aspartic Acid 1-Benzyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, D-Aspartic Acid 1-Benzyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D-Aspartic Acid 1-Benzyl Ester has 1 hydrogen bond donor(s) and 6 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 D-Aspartic Acid 1-Benzyl Ester?
The CAS number of D-Aspartic Acid 1-Benzyl Ester is 6367-93-7.
What is the molecular formula of D-Aspartic Acid 1-Benzyl Ester?
The molecular formula of D-Aspartic Acid 1-Benzyl Ester is C20H19NO3S2.
What is the molecular weight of D-Aspartic Acid 1-Benzyl Ester?
The molecular weight of D-Aspartic Acid 1-Benzyl Ester is 385.08 g/mol.
Where can I buy D-Aspartic Acid 1-Benzyl Ester?
You can request a quote for D-Aspartic Acid 1-Benzyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Aspartic Acid 1-Benzyl Ester?
Yes, KEHONG BIO provides custom synthesis services for D-Aspartic Acid 1-Benzyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.