Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)
TL;DR: Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) (CAS 5000-35-1) 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,3S,4aR,8aR)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid
Also Known As: NIOSH/QJ0352800, (+-)-2(a)-Amino-3(a)-phenyl-trans-decalin methanesulfonate, (+-)-Decahydro-3-axial-phenylnaphthalen-2-axial-amine methanesulfonate, (2s,3s,4ar,8ar)-3-phenyldecahydronaphthalen-2-amine methanesulfonate(1:1), (2S,3S,4aR,8aR)-3-phenyldecalin-2-amine; methanesulfonic acid
| 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 | 5000-35-1 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC[C@@H]2C[C@@H]([C@@H](C[C@H]2C1)C3=CC=CC=C3)N |
| InChIKey | QBRWXKHVUDQGGH-DAEKMUCVSA-N |
Product Overview
Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) (CAS 5000-35-1), with molecular formula C17H27NO3S and molecular weight 325.17 g/mol. IUPAC: (2S,3S,4aR,8aR)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;methanesulfonic acid.
Chemical Property Profile of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)
Property Insights of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)
The XLogP value of 3.2017 indicates that Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) 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 Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1). Following Lipinski's Rule of Five, Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (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 Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)?
The CAS number of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) is 5000-35-1.
What is the molecular formula of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)?
The molecular formula of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) is C17H27NO3S.
What is the molecular weight of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)?
The molecular weight of Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) is 325.17 g/mol.
Where can I buy Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)?
You can request a quote for Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid--3-phenyldecahydronaphthalen-2-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.