(1-氨基-2-苄硫基乙基)膦酸
TL;DR: (1-氨基-2-苄硫基乙基)膦酸 (CAS 81613-36-7) is a chemical compound with molecular formula C9H14NO3PS and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-氨基-2-苄硫基乙基)膦酸
(1-amino-2-benzylsulfanylethyl)phosphonic acid
Also Known As: (1-amino-2-benzylsulfanylethyl)phosphonic acid, [1-Amino-2-(benzylsulfanyl)ethyl]phosphonic acid
| Molecular Formula | C9H14NO3PS |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.0432 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 81613-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(N)P(=O)(O)O |
| InChIKey | DKFHOEAITNSIMX-UHFFFAOYSA-N |
Product Overview
(1-氨基-2-苄硫基乙基)膦酸 (CAS 81613-36-7), with molecular formula C9H14NO3PS and molecular weight 247.04 g/mol. IUPAC: (1-amino-2-benzylsulfanylethyl)phosphonic acid.
Chemical Property Profile of (1-氨基-2-苄硫基乙基)膦酸
Property Insights of (1-氨基-2-苄硫基乙基)膦酸
The XLogP value of -2.5 indicates that (1-氨基-2-苄硫基乙基)膦酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-氨基-2-苄硫基乙基)膦酸. Following Lipinski's Rule of Five, (1-氨基-2-苄硫基乙基)膦酸 has 3 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 (1-氨基-2-苄硫基乙基)膦酸?
The CAS number of (1-氨基-2-苄硫基乙基)膦酸 is 81613-36-7.
What is the molecular formula of (1-氨基-2-苄硫基乙基)膦酸?
The molecular formula of (1-氨基-2-苄硫基乙基)膦酸 is C9H14NO3PS.
What is the molecular weight of (1-氨基-2-苄硫基乙基)膦酸?
The molecular weight of (1-氨基-2-苄硫基乙基)膦酸 is 247.04 g/mol.
Where can I buy (1-氨基-2-苄硫基乙基)膦酸?
You can request a quote for (1-氨基-2-苄硫基乙基)膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-氨基-2-苄硫基乙基)膦酸?
Yes, KEHONG BIO provides custom synthesis services for (1-氨基-2-苄硫基乙基)膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.