UPCMLD0ENAT0506-0926:001
TL;DR: UPCMLD0ENAT0506-0926:001 (CAS 315694-01-0) is a chemical compound with molecular formula C20H17N5S3 and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT0506-0926:001, AF-399/15127102, F0863-0508, 2-ethyl-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 5-ethyl-3-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C20H17N5S3 |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 5.5411 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0646 |
| Heavy Atoms | 28 |
| Complexity | 1346.6608 |
Chemical Identifiers
| CAS Number | 315694-01-0 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=NN=C5N4C6=CC=CC=C6S5 |
Product Overview
UPCMLD0ENAT0506-0926:001 (CAS 315694-01-0), with molecular formula C20H17N5S3 and molecular weight 423.06 g/mol. IUPAC: 2-ethyl-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT0506-0926:001
Property Insights of UPCMLD0ENAT0506-0926:001
The XLogP value of 5.5411 indicates that UPCMLD0ENAT0506-0926:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, UPCMLD0ENAT0506-0926:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-0926:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0506-0926:001?
The CAS number of UPCMLD0ENAT0506-0926:001 is 315694-01-0.
What is the molecular formula of UPCMLD0ENAT0506-0926:001?
The molecular formula of UPCMLD0ENAT0506-0926:001 is C20H17N5S3.
What is the molecular weight of UPCMLD0ENAT0506-0926:001?
The molecular weight of UPCMLD0ENAT0506-0926:001 is 423.06 g/mol.
Where can I buy UPCMLD0ENAT0506-0926:001?
You can request a quote for UPCMLD0ENAT0506-0926:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-0926:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-0926:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.