UPCMLD0ENAT5890803:001
TL;DR: UPCMLD0ENAT5890803:001 (CAS 379236-60-9) is a chemical compound with molecular formula C27H27N3O5S3 and molecular weight 569.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT5890803:001, AF-399/40756886, ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, F1174-3033, ethyl 2-(2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
| Molecular Formula | C27H27N3O5S3 |
|---|---|
| Molecular Weight | 569.11 g/mol |
| LogP | 6.06022 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.11127 |
| Heavy Atoms | 38 |
| Complexity | 1593.1525 |
Chemical Identifiers
| CAS Number | 379236-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CC=C |
Product Overview
UPCMLD0ENAT5890803:001 (CAS 379236-60-9), with molecular formula C27H27N3O5S3 and molecular weight 569.11 g/mol. IUPAC: ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5890803:001
Property Insights of UPCMLD0ENAT5890803:001
The XLogP value of 6.06022 indicates that UPCMLD0ENAT5890803:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890803:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890803:001 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890803:001?
The CAS number of UPCMLD0ENAT5890803:001 is 379236-60-9.
What is the molecular formula of UPCMLD0ENAT5890803:001?
The molecular formula of UPCMLD0ENAT5890803:001 is C27H27N3O5S3.
What is the molecular weight of UPCMLD0ENAT5890803:001?
The molecular weight of UPCMLD0ENAT5890803:001 is 569.11 g/mol.
Where can I buy UPCMLD0ENAT5890803:001?
You can request a quote for UPCMLD0ENAT5890803:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890803:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890803:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.