UPCMLD0ENAT0513-4994:001
TL;DR: UPCMLD0ENAT0513-4994:001 (CAS 379245-70-2) is a chemical compound with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-4994:001, AF-399/15335056, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C24H20N2O3S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 5.64042 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.09152 |
| Heavy Atoms | 31 |
| Complexity | 1339.691 |
Chemical Identifiers
| CAS Number | 379245-70-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C |
Product Overview
UPCMLD0ENAT0513-4994:001 (CAS 379245-70-2), with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-4994:001
Property Insights of UPCMLD0ENAT0513-4994:001
The XLogP value of 5.64042 indicates that UPCMLD0ENAT0513-4994:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, UPCMLD0ENAT0513-4994:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-4994:001 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 UPCMLD0ENAT0513-4994:001?
The CAS number of UPCMLD0ENAT0513-4994:001 is 379245-70-2.
What is the molecular formula of UPCMLD0ENAT0513-4994:001?
The molecular formula of UPCMLD0ENAT0513-4994:001 is C24H20N2O3S2.
What is the molecular weight of UPCMLD0ENAT0513-4994:001?
The molecular weight of UPCMLD0ENAT0513-4994:001 is 448.09 g/mol.
Where can I buy UPCMLD0ENAT0513-4994:001?
You can request a quote for UPCMLD0ENAT0513-4994:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-4994:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-4994:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.