![2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene structure](/static/products/741/74168-73-3.png)
2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene
TL;DR: 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene (CAS 74168-73-3) is a chemical compound with molecular formula C13H11ClS and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
Also Known As: 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene, AI-942/13331829, 2-chloro-4,9,10-trihydrobenzo[d]thiopheno[2,3-a][7]annulene, 5-chloro-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
| Molecular Formula | C13H11ClS |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 4.0909 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.027 |
| Heavy Atoms | 15 |
| Complexity | 498.9871 |
Chemical Identifiers
| CAS Number | 74168-73-3 |
|---|---|
| SMILES | C1CC2=C(CC3=CC=CC=C31)C=C(S2)Cl |
Product Overview
2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene (CAS 74168-73-3), with molecular formula C13H11ClS and molecular weight 234.03 g/mol. IUPAC: 5-chloro-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene.
Chemical Property Profile of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene
Property Insights of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene
The XLogP value of 4.0909 indicates that 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene has 0 hydrogen bond donor(s) and 1 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-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene?
The CAS number of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene is 74168-73-3.
What is the molecular formula of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene?
The molecular formula of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene is C13H11ClS.
What is the molecular weight of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene?
The molecular weight of 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene is 234.03 g/mol.
Where can I buy 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene?
You can request a quote for 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.