6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate
TL;DR: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate (CAS 1005046-45-6) is a chemical compound with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-phenylcarbamate
Also Known As: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate, (6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-phenylcarbamate, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-yl N-phenylcarbamate, (6-Chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl)N-phenylcarbamate, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-ylN-phenylcarbamate
| Molecular Formula | C17H18ClNO2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.8064 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.07468 |
| Heavy Atoms | 22 |
| Complexity | 601.93634 |
Chemical Identifiers
| CAS Number | 1005046-45-6 |
|---|---|
| SMILES | CC1CC(C2C=C(C=CC2S1)Cl)OC(=O)NC3=CC=CC=C3 |
Product Overview
6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate (CAS 1005046-45-6), with molecular formula C17H18ClNO2S and molecular weight 335.07 g/mol. IUPAC: (6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl) N-phenylcarbamate.
Chemical Property Profile of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate
Property Insights of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate
The XLogP value of 4.8064 indicates that 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate has 1 hydrogen bond donor(s) and 3 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 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate?
The CAS number of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate is 1005046-45-6.
What is the molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate?
The molecular formula of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate is C17H18ClNO2S.
What is the molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate?
The molecular weight of 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate is 335.07 g/mol.
Where can I buy 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate?
You can request a quote for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromen-4-yl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.