(+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate
TL;DR: (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate (CAS 5000-44-2) is a chemical compound with molecular formula C17H27NO3S and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid
Also Known As: KST-1A5091, (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate, Acetamide,2-[(diazoacetyl)amino]-N-ethyl-(9CI), Naphthalen-2-axial-amine, decahydro-3-equatorial-phenyl-, methanesulfonate, (+-)-, (+-)-Decahydro-3-equatorial-phenylnaphthalen-2-axial-amine methanesulfonate
| Molecular Formula | C17H27NO3S |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 3.2017 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.17117 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5000-44-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC[C@H]2C[C@@H]([C@H](C[C@@H]2C1)C3=CC=CC=C3)N |
| InChIKey | QBRWXKHVUDQGGH-VZULWULUSA-N |
Product Overview
(+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate (CAS 5000-44-2), with molecular formula C17H27NO3S and molecular weight 325.17 g/mol. IUPAC: (2S,3R,4aS,8aS)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid.
Chemical Property Profile of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate
Property Insights of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate
The XLogP value of 3.2017 indicates that (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate. Following Lipinski's Rule of Five, (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate 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 (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate?
The CAS number of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate is 5000-44-2.
What is the molecular formula of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate?
The molecular formula of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate is C17H27NO3S.
What is the molecular weight of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate?
The molecular weight of (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate is 325.17 g/mol.
Where can I buy (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate?
You can request a quote for (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (+-)-2(a)-Amino-3(e)-phenyl-trans-decalin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.