erythro-3-Phenyl-2-butylamine
TL;DR: erythro-3-Phenyl-2-butylamine (CAS 5000-33-9) is a chemical compound with molecular formula C11H19NO3S and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;(2R,3R)-3-phenylbutan-2-amine
Also Known As: erythro-3-Phenyl-2-butylamine, dl-erythro-2-Amino-3-phenylbutane, KST-1A5088, (2r,3r)-3-phenylbutan-2-amine methanesulfonate(1:1), dl-erythro-alpha,beta-Dimethylphenethylamine monomethanesulfonate
| Molecular Formula | C11H19NO3S |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.6413 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.10857 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 5000-33-9 |
|---|---|
| SMILES | C[C@H](C1=CC=CC=C1)[C@@H](C)N.CS(=O)(=O)O |
| InChIKey | RLICSGVROQHWKR-OULXEKPRSA-N |
Product Overview
erythro-3-Phenyl-2-butylamine (CAS 5000-33-9), with molecular formula C11H19NO3S and molecular weight 245.11 g/mol. IUPAC: methanesulfonic acid;(2R,3R)-3-phenylbutan-2-amine.
Chemical Property Profile of erythro-3-Phenyl-2-butylamine
Property Insights of erythro-3-Phenyl-2-butylamine
The XLogP value of 1.6413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for erythro-3-Phenyl-2-butylamine. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for erythro-3-Phenyl-2-butylamine. Following Lipinski's Rule of Five, erythro-3-Phenyl-2-butylamine has 2 hydrogen bond donor(s) and 4 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 erythro-3-Phenyl-2-butylamine?
The CAS number of erythro-3-Phenyl-2-butylamine is 5000-33-9.
What is the molecular formula of erythro-3-Phenyl-2-butylamine?
The molecular formula of erythro-3-Phenyl-2-butylamine is C11H19NO3S.
What is the molecular weight of erythro-3-Phenyl-2-butylamine?
The molecular weight of erythro-3-Phenyl-2-butylamine is 245.11 g/mol.
Where can I buy erythro-3-Phenyl-2-butylamine?
You can request a quote for erythro-3-Phenyl-2-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for erythro-3-Phenyl-2-butylamine?
Yes, KEHONG BIO provides custom synthesis services for erythro-3-Phenyl-2-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.