甲磺酸-3-苯基丁-2-胺(1:1)
TL;DR: 甲磺酸-3-苯基丁-2-胺(1:1) (CAS 4999-42-2) 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.
甲磺酸-3-苯基丁-2-胺(1:1)
methanesulfonic acid;(2R,3S)-3-phenylbutan-2-amine
Also Known As: dl-threo-alpha,beta-Dimethylphenethylamine monomethanesulfonate, threo-3-Phenyl-2-butylamine methanesulfonate, dl-threo-2-Amino-3-phenylbutane methanesulfonate, (2r,3s)-3-phenylbutan-2-amine methanesulfonate(1:1), Methanesulfonic acid--3-phenylbutan-2-amine (1/1)
| 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 | 4999-42-2 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)[C@@H](C)N.CS(=O)(=O)O |
| InChIKey | RLICSGVROQHWKR-VTLYIQCISA-N |
Product Overview
甲磺酸-3-苯基丁-2-胺(1:1) (CAS 4999-42-2), with molecular formula C11H19NO3S and molecular weight 245.11 g/mol. IUPAC: methanesulfonic acid;(2R,3S)-3-phenylbutan-2-amine.
Chemical Property Profile of 甲磺酸-3-苯基丁-2-胺(1:1)
Property Insights of 甲磺酸-3-苯基丁-2-胺(1:1)
The XLogP value of 1.6413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲磺酸-3-苯基丁-2-胺(1:1). The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲磺酸-3-苯基丁-2-胺(1:1). Following Lipinski's Rule of Five, 甲磺酸-3-苯基丁-2-胺(1:1) 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 甲磺酸-3-苯基丁-2-胺(1:1)?
The CAS number of 甲磺酸-3-苯基丁-2-胺(1:1) is 4999-42-2.
What is the molecular formula of 甲磺酸-3-苯基丁-2-胺(1:1)?
The molecular formula of 甲磺酸-3-苯基丁-2-胺(1:1) is C11H19NO3S.
What is the molecular weight of 甲磺酸-3-苯基丁-2-胺(1:1)?
The molecular weight of 甲磺酸-3-苯基丁-2-胺(1:1) is 245.11 g/mol.
Where can I buy 甲磺酸-3-苯基丁-2-胺(1:1)?
You can request a quote for 甲磺酸-3-苯基丁-2-胺(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲磺酸-3-苯基丁-2-胺(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 甲磺酸-3-苯基丁-2-胺(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.