UPCMLD0ENAT0512-0134:001
TL;DR: UPCMLD0ENAT0512-0134:001 (CAS 314244-67-2) is a chemical compound with molecular formula C24H26N2O5S2 and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0512-0134:001, 3-allyl-2-((2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F0745-0112, 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl}-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
| Molecular Formula | C24H26N2O5S2 |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 4.5236 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.12833 |
| Heavy Atoms | 33 |
| Complexity | 1253.0708 |
Chemical Identifiers
| CAS Number | 314244-67-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C |
Product Overview
UPCMLD0ENAT0512-0134:001 (CAS 314244-67-2), with molecular formula C24H26N2O5S2 and molecular weight 486.13 g/mol. IUPAC: 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0512-0134:001
Property Insights of UPCMLD0ENAT0512-0134:001
The XLogP value of 4.5236 indicates that UPCMLD0ENAT0512-0134:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0512-0134:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0512-0134:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT0512-0134:001?
The CAS number of UPCMLD0ENAT0512-0134:001 is 314244-67-2.
What is the molecular formula of UPCMLD0ENAT0512-0134:001?
The molecular formula of UPCMLD0ENAT0512-0134:001 is C24H26N2O5S2.
What is the molecular weight of UPCMLD0ENAT0512-0134:001?
The molecular weight of UPCMLD0ENAT0512-0134:001 is 486.13 g/mol.
Where can I buy UPCMLD0ENAT0512-0134:001?
You can request a quote for UPCMLD0ENAT0512-0134:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0512-0134:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0512-0134:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.