UPCMLD0ENAT0505-9975:001
TL;DR: UPCMLD0ENAT0505-9975:001 (CAS 380170-49-0) is a chemical compound with molecular formula C23H17Cl2N3O2S2 and molecular weight 501.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0505-9975:001, F1008-0174, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(5-chloropyridin-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H17Cl2N3O2S2 |
|---|---|
| Molecular Weight | 501.01 g/mol |
| LogP | 6.0028 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.01392 |
| Heavy Atoms | 32 |
| Complexity | 1379.8816 |
Chemical Identifiers
| CAS Number | 380170-49-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=NC=C(C=C4)Cl)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
UPCMLD0ENAT0505-9975:001 (CAS 380170-49-0), with molecular formula C23H17Cl2N3O2S2 and molecular weight 501.01 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0505-9975:001
Property Insights of UPCMLD0ENAT0505-9975:001
The XLogP value of 6.0028 indicates that UPCMLD0ENAT0505-9975:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0505-9975:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-9975:001 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 UPCMLD0ENAT0505-9975:001?
The CAS number of UPCMLD0ENAT0505-9975:001 is 380170-49-0.
What is the molecular formula of UPCMLD0ENAT0505-9975:001?
The molecular formula of UPCMLD0ENAT0505-9975:001 is C23H17Cl2N3O2S2.
What is the molecular weight of UPCMLD0ENAT0505-9975:001?
The molecular weight of UPCMLD0ENAT0505-9975:001 is 501.01 g/mol.
Where can I buy UPCMLD0ENAT0505-9975:001?
You can request a quote for UPCMLD0ENAT0505-9975:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-9975:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-9975:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.