UPCMLD0ENAT0513-4844:001
TL;DR: UPCMLD0ENAT0513-4844:001 (CAS 315707-71-2) 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.
N-(2,6-dichlorophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: UPCMLD0ENAT0513-4844:001, AF-399/15335110, N-(2,6-dichlorophenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2,6-Dichlorophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide, N-(2,6-dichlorophenyl)-2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]py rimidino[4,5-b]thiophen-2-ylthio))acetamide
| Molecular Formula | C23H17Cl2N3O2S2 |
|---|---|
| Molecular Weight | 501.01 g/mol |
| LogP | 5.9735 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.01392 |
| Heavy Atoms | 32 |
| Complexity | 1379.8816 |
Chemical Identifiers
| CAS Number | 315707-71-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC=C4Cl)Cl)C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0513-4844:001 (CAS 315707-71-2), with molecular formula C23H17Cl2N3O2S2 and molecular weight 501.01 g/mol. IUPAC: N-(2,6-dichlorophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of UPCMLD0ENAT0513-4844:001
Property Insights of UPCMLD0ENAT0513-4844:001
The XLogP value of 5.9735 indicates that UPCMLD0ENAT0513-4844:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-4844:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-4844:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-4844:001?
The CAS number of UPCMLD0ENAT0513-4844:001 is 315707-71-2.
What is the molecular formula of UPCMLD0ENAT0513-4844:001?
The molecular formula of UPCMLD0ENAT0513-4844:001 is C23H17Cl2N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-4844:001?
The molecular weight of UPCMLD0ENAT0513-4844:001 is 501.01 g/mol.
Where can I buy UPCMLD0ENAT0513-4844:001?
You can request a quote for UPCMLD0ENAT0513-4844:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-4844:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-4844:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.