UPCMLD0ENAT5889697:001
TL;DR: UPCMLD0ENAT5889697:001 (CAS 5674-28-2) is a chemical compound with molecular formula C23H25N3O3S3 and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT5889697:001, BAS 01248692, BIM-0013611.P001, F1143-1874, ethyl 2-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H25N3O3S3 |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 5.4179 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.1058 |
| Heavy Atoms | 32 |
| Complexity | 1184.3141 |
Chemical Identifiers
| CAS Number | 5674-28-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
UPCMLD0ENAT5889697:001 (CAS 5674-28-2), with molecular formula C23H25N3O3S3 and molecular weight 487.11 g/mol. IUPAC: ethyl 2-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5889697:001
Property Insights of UPCMLD0ENAT5889697:001
The XLogP value of 5.4179 indicates that UPCMLD0ENAT5889697:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5889697:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5889697:001 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5889697:001?
The CAS number of UPCMLD0ENAT5889697:001 is 5674-28-2.
What is the molecular formula of UPCMLD0ENAT5889697:001?
The molecular formula of UPCMLD0ENAT5889697:001 is C23H25N3O3S3.
What is the molecular weight of UPCMLD0ENAT5889697:001?
The molecular weight of UPCMLD0ENAT5889697:001 is 487.11 g/mol.
Where can I buy UPCMLD0ENAT5889697:001?
You can request a quote for UPCMLD0ENAT5889697:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5889697:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5889697:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.