C22H27N5S
TL;DR: C22H27N5S (CAS 314770-43-9) is a chemical compound with molecular formula C22H27N5S and molecular weight 393.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methylbutan-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: BAS 01858781, (1E)-1-(4-PYRIDINYL)ETHANONE (6-TERT-PENTYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YL)HYDRAZONE, (E)-6-(tert-pentyl)-4-(2-(1-(pyridin-4-yl)ethylidene)hydrazinyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 1-(4-PYRIDYL)-1-ETHANONE 1-[6-(TERT-PENTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YL]HYDRAZONE, 6-(2-methylbutan-2-yl)-4-{(2E)-2-[1-(pyridin-4-yl)ethylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C22H27N5S |
|---|---|
| Molecular Weight | 393.20 g/mol |
| LogP | 5.4635 |
| Topological Polar Surface Area | 63.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.19873 |
| Heavy Atoms | 28 |
| Complexity | 1006.444 |
Chemical Identifiers
| CAS Number | 314770-43-9 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C(\C)/C4=CC=NC=C4 |
Product Overview
C22H27N5S (CAS 314770-43-9), with molecular formula C22H27N5S and molecular weight 393.20 g/mol. IUPAC: 6-(2-methylbutan-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of C22H27N5S
Property Insights of C22H27N5S
The XLogP value of 5.4635 indicates that C22H27N5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H27N5S. Following Lipinski's Rule of Five, C22H27N5S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H27N5S?
The CAS number of C22H27N5S is 314770-43-9.
What is the molecular formula of C22H27N5S?
The molecular formula of C22H27N5S is C22H27N5S.
What is the molecular weight of C22H27N5S?
The molecular weight of C22H27N5S is 393.20 g/mol.
Where can I buy C22H27N5S?
You can request a quote for C22H27N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H27N5S?
Yes, KEHONG BIO provides custom synthesis services for C22H27N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.