UPCMLD0ENAT0517-0085:001
TL;DR: UPCMLD0ENAT0517-0085:001 (CAS 379244-83-4) is a chemical compound with molecular formula C24H25N3O3S2 and molecular weight 467.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0517-0085:001, 3-ALLYL-2-({2-[1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-OXOETHYL}SULFANYL)-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 2-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-{2-[1-(2-furylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethylthio}-5,6-dimethyl- 3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H25N3O3S2 |
|---|---|
| Molecular Weight | 467.13 g/mol |
| LogP | 5.29548 |
| Topological Polar Surface Area | 70.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.13373 |
| Heavy Atoms | 32 |
| Complexity | 1374.1218 |
Chemical Identifiers
| CAS Number | 379244-83-4 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3CC=C |
Product Overview
UPCMLD0ENAT0517-0085:001 (CAS 379244-83-4), with molecular formula C24H25N3O3S2 and molecular weight 467.13 g/mol. IUPAC: 2-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0517-0085:001
Property Insights of UPCMLD0ENAT0517-0085:001
The XLogP value of 5.29548 indicates that UPCMLD0ENAT0517-0085:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.03 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0517-0085:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0517-0085:001 has 0 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 UPCMLD0ENAT0517-0085:001?
The CAS number of UPCMLD0ENAT0517-0085:001 is 379244-83-4.
What is the molecular formula of UPCMLD0ENAT0517-0085:001?
The molecular formula of UPCMLD0ENAT0517-0085:001 is C24H25N3O3S2.
What is the molecular weight of UPCMLD0ENAT0517-0085:001?
The molecular weight of UPCMLD0ENAT0517-0085:001 is 467.13 g/mol.
Where can I buy UPCMLD0ENAT0517-0085:001?
You can request a quote for UPCMLD0ENAT0517-0085:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0517-0085:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0517-0085:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.