UPCMLD0ENAT5389980:001
TL;DR: UPCMLD0ENAT5389980:001 (CAS 690642-78-5) is a chemical compound with molecular formula C24H24N2O4S2 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5389980:001, F1143-0151, 3-allyl-2-((2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H24N2O4S2 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 4.515 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.11774 |
| Heavy Atoms | 32 |
| Complexity | 1277.2203 |
Chemical Identifiers
| CAS Number | 690642-78-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(C=C4)OCCO5)CC=C |
Product Overview
UPCMLD0ENAT5389980:001 (CAS 690642-78-5), with molecular formula C24H24N2O4S2 and molecular weight 468.12 g/mol. IUPAC: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5389980:001
Property Insights of UPCMLD0ENAT5389980:001
The XLogP value of 4.515 indicates that UPCMLD0ENAT5389980:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5389980:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5389980:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5389980:001?
The CAS number of UPCMLD0ENAT5389980:001 is 690642-78-5.
What is the molecular formula of UPCMLD0ENAT5389980:001?
The molecular formula of UPCMLD0ENAT5389980:001 is C24H24N2O4S2.
What is the molecular weight of UPCMLD0ENAT5389980:001?
The molecular weight of UPCMLD0ENAT5389980:001 is 468.12 g/mol.
Where can I buy UPCMLD0ENAT5389980:001?
You can request a quote for UPCMLD0ENAT5389980:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5389980:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5389980:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.