C27H27ClN4OS
TL;DR: C27H27ClN4OS (CAS 382618-33-9) is a chemical compound with molecular formula C27H27ClN4OS and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-7-(tert-butyl)-2-(2-(4-chlorobenzylidene)hydrazinyl)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-tert-butyl-2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C27H27ClN4OS |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 6.6976 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.15942 |
| Heavy Atoms | 34 |
| Complexity | 1415.7803 |
Chemical Identifiers
| CAS Number | 382618-33-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)N/N=C/C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
C27H27ClN4OS (CAS 382618-33-9), with molecular formula C27H27ClN4OS and molecular weight 490.16 g/mol. IUPAC: 7-tert-butyl-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of C27H27ClN4OS
Property Insights of C27H27ClN4OS
The XLogP value of 6.6976 indicates that C27H27ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, C27H27ClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C27H27ClN4OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H27ClN4OS?
The CAS number of C27H27ClN4OS is 382618-33-9.
What is the molecular formula of C27H27ClN4OS?
The molecular formula of C27H27ClN4OS is C27H27ClN4OS.
What is the molecular weight of C27H27ClN4OS?
The molecular weight of C27H27ClN4OS is 490.16 g/mol.
Where can I buy C27H27ClN4OS?
You can request a quote for C27H27ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H27ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C27H27ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.