2-氨基-3-苄亚磺酰基丙酸
TL;DR: 2-氨基-3-苄亚磺酰基丙酸 (CAS 60668-81-7) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-3-苄亚磺酰基丙酸
2-amino-3-benzylsulfinylpropanoic acid
Also Known As: S-Benzylcysteine sulfoxide, S-Benzyl-L-cystein-S-oxide, 3-(Benzylsulfinyl)alanine #, S-Benzyl-L-cysteine-S-oxide, 2-amino-3-benzylsulfinylpropanoic acid
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 60668-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)CC(C(=O)O)N |
| InChIKey | OBQBHBOGTLPNJM-UHFFFAOYSA-N |
Product Overview
2-氨基-3-苄亚磺酰基丙酸 (CAS 60668-81-7), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: 2-amino-3-benzylsulfinylpropanoic acid.
Chemical Property Profile of 2-氨基-3-苄亚磺酰基丙酸
Property Insights of 2-氨基-3-苄亚磺酰基丙酸
The XLogP value of -2.7 indicates that 2-氨基-3-苄亚磺酰基丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-3-苄亚磺酰基丙酸. Following Lipinski's Rule of Five, 2-氨基-3-苄亚磺酰基丙酸 has 2 hydrogen bond donor(s) and 5 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 2-氨基-3-苄亚磺酰基丙酸?
The CAS number of 2-氨基-3-苄亚磺酰基丙酸 is 60668-81-7.
What is the molecular formula of 2-氨基-3-苄亚磺酰基丙酸?
The molecular formula of 2-氨基-3-苄亚磺酰基丙酸 is C10H13NO3S.
What is the molecular weight of 2-氨基-3-苄亚磺酰基丙酸?
The molecular weight of 2-氨基-3-苄亚磺酰基丙酸 is 227.06 g/mol.
Where can I buy 2-氨基-3-苄亚磺酰基丙酸?
You can request a quote for 2-氨基-3-苄亚磺酰基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-3-苄亚磺酰基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-3-苄亚磺酰基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.