methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate
TL;DR: methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate (CAS 7228-19-5) is a chemical compound with molecular formula C22H29NO2S and molecular weight 371.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate
Also Known As: methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate, Methyl [2-(benzylsulfanyl)-1-phenylheptan-3-yl]carbamate, Methyl N-(2-benzylsulfanyl-1-phenyl-heptan-3-yl)carbamate
| Molecular Formula | C22H29NO2S |
|---|---|
| Molecular Weight | 371.19 g/mol |
| LogP | 5.4459 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 371.1919 |
| Heavy Atoms | 26 |
| Complexity | 633.1052 |
Chemical Identifiers
| CAS Number | 7228-19-5 |
|---|---|
| SMILES | CCCCC(C(CC1=CC=CC=C1)SCC2=CC=CC=C2)NC(=O)OC |
Product Overview
methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate (CAS 7228-19-5), with molecular formula C22H29NO2S and molecular weight 371.19 g/mol. IUPAC: methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate.
Chemical Property Profile of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate
Property Insights of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate
The XLogP value of 5.4459 indicates that methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate?
The CAS number of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate is 7228-19-5.
What is the molecular formula of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate?
The molecular formula of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate is C22H29NO2S.
What is the molecular weight of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate?
The molecular weight of methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate is 371.19 g/mol.
Where can I buy methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate?
You can request a quote for methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2-benzylsulfanyl-1-phenylheptan-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.