C20H21N5S
TL;DR: C20H21N5S (CAS 861646-04-0) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-N-(2-phenylethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
Also Known As: 10-methyl-N-(2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, 10-methyl-N-phenethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.1184 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 1066.1381 |
Chemical Identifiers
| CAS Number | 861646-04-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC=N4)NCCC5=CC=CC=C5 |
Product Overview
C20H21N5S (CAS 861646-04-0), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: 14-methyl-N-(2-phenylethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.
Chemical Property Profile of C20H21N5S
Property Insights of C20H21N5S
The XLogP value of 4.1184 indicates that C20H21N5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.11 Ų, C20H21N5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H21N5S has 1 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 C20H21N5S?
The CAS number of C20H21N5S is 861646-04-0.
What is the molecular formula of C20H21N5S?
The molecular formula of C20H21N5S is C20H21N5S.
What is the molecular weight of C20H21N5S?
The molecular weight of C20H21N5S is 363.15 g/mol.
Where can I buy C20H21N5S?
You can request a quote for C20H21N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H21N5S?
Yes, KEHONG BIO provides custom synthesis services for C20H21N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.