Benzenemethanol,3-iodo-2-methyl
TL;DR: Benzenemethanol,3-iodo-2-methyl (CAS 76352-18-6) is a chemical compound with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-2-methoxy-N-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Also Known As: Benzenemethanol,3-iodo-2-methyl, exo-4-Amino-5-chloro-2-methoxy-N-(8-(2-thenyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide, Benzamide, 4-amino-5-chloro-2-methoxy-N-(8-(2-thienylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, exo-, 4-amino-5-chloro-2-methoxy-N-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide, 4-Amino-5-chloro-2-methoxy-N-{8-[(thiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl}benzene-1-carboximidic acid
| Molecular Formula | C20H24ClN3O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.9177 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.12778 |
| Heavy Atoms | 27 |
| Complexity | 812.88434 |
Chemical Identifiers
| CAS Number | 76352-18-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CS4)Cl)N |
Product Overview
Benzenemethanol,3-iodo-2-methyl (CAS 76352-18-6), with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol. IUPAC: 4-amino-5-chloro-2-methoxy-N-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
Chemical Property Profile of Benzenemethanol,3-iodo-2-methyl
Property Insights of Benzenemethanol,3-iodo-2-methyl
The XLogP value of 3.9177 indicates that Benzenemethanol,3-iodo-2-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol,3-iodo-2-methyl. Following Lipinski's Rule of Five, Benzenemethanol,3-iodo-2-methyl has 2 hydrogen bond donor(s) and 5 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 Benzenemethanol,3-iodo-2-methyl?
The CAS number of Benzenemethanol,3-iodo-2-methyl is 76352-18-6.
What is the molecular formula of Benzenemethanol,3-iodo-2-methyl?
The molecular formula of Benzenemethanol,3-iodo-2-methyl is C20H24ClN3O2S.
What is the molecular weight of Benzenemethanol,3-iodo-2-methyl?
The molecular weight of Benzenemethanol,3-iodo-2-methyl is 405.13 g/mol.
Where can I buy Benzenemethanol,3-iodo-2-methyl?
You can request a quote for Benzenemethanol,3-iodo-2-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol,3-iodo-2-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol,3-iodo-2-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.