N-对甲苯磺酰基-L-天冬氨酸
TL;DR: N-对甲苯磺酰基-L-天冬氨酸 (CAS 4816-82-4) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-对甲苯磺酰基-L-天冬氨酸
(2S)-2-[(4-methylphenyl)sulfonylamino]butanedioic acid
Also Known As: N-Tosyl-L-aspartic acid, N-tosyl-L-asparticacid, (S)-2-(4-Methylphenylsulfonamido)succinic acid, n-[(4-methylphenyl)sulfonyl]-l-aspartic acid, N-(p-Toluenesulfonyl)-L-aspartic acid
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 4816-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O |
| InChIKey | SVCQSZKHLAERDL-VIFPVBQESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-对甲苯磺酰基-L-天冬氨酸 (CAS 4816-82-4), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioic acid.
Chemical Property Profile of N-对甲苯磺酰基-L-天冬氨酸
Property Insights of N-对甲苯磺酰基-L-天冬氨酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-对甲苯磺酰基-L-天冬氨酸. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-对甲苯磺酰基-L-天冬氨酸. Following Lipinski's Rule of Five, N-对甲苯磺酰基-L-天冬氨酸 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 N-对甲苯磺酰基-L-天冬氨酸?
The CAS number of N-对甲苯磺酰基-L-天冬氨酸 is 4816-82-4.
What is the molecular formula of N-对甲苯磺酰基-L-天冬氨酸?
The molecular formula of N-对甲苯磺酰基-L-天冬氨酸 is C11H13NO6S.
What is the molecular weight of N-对甲苯磺酰基-L-天冬氨酸?
The molecular weight of N-对甲苯磺酰基-L-天冬氨酸 is 287.05 g/mol.
Where can I buy N-对甲苯磺酰基-L-天冬氨酸?
You can request a quote for N-对甲苯磺酰基-L-天冬氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-对甲苯磺酰基-L-天冬氨酸?
Yes, KEHONG BIO provides custom synthesis services for N-对甲苯磺酰基-L-天冬氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.