UPCMLD0ENAT0505-6515:001
TL;DR: UPCMLD0ENAT0505-6515:001 (CAS 315711-71-8) is a chemical compound with molecular formula C18H15Cl2N3OS2 and molecular weight 423.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dichlorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: UPCMLD0ENAT0505-6515:001, AF-399/15335147, F1174-1954, N-(2,6-dichlorophenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide, N-(2,6-dichlorophenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C18H15Cl2N3OS2 |
|---|---|
| Molecular Weight | 423.00 g/mol |
| LogP | 5.52602 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.00336 |
| Heavy Atoms | 26 |
| Complexity | 999.0791 |
Chemical Identifiers
| CAS Number | 315711-71-8 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C=CC=C4Cl)Cl |
Product Overview
UPCMLD0ENAT0505-6515:001 (CAS 315711-71-8), with molecular formula C18H15Cl2N3OS2 and molecular weight 423.00 g/mol. IUPAC: N-(2,6-dichlorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
Chemical Property Profile of UPCMLD0ENAT0505-6515:001
Property Insights of UPCMLD0ENAT0505-6515:001
The XLogP value of 5.52602 indicates that UPCMLD0ENAT0505-6515:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, UPCMLD0ENAT0505-6515:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-6515:001 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 UPCMLD0ENAT0505-6515:001?
The CAS number of UPCMLD0ENAT0505-6515:001 is 315711-71-8.
What is the molecular formula of UPCMLD0ENAT0505-6515:001?
The molecular formula of UPCMLD0ENAT0505-6515:001 is C18H15Cl2N3OS2.
What is the molecular weight of UPCMLD0ENAT0505-6515:001?
The molecular weight of UPCMLD0ENAT0505-6515:001 is 423.00 g/mol.
Where can I buy UPCMLD0ENAT0505-6515:001?
You can request a quote for UPCMLD0ENAT0505-6515:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-6515:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-6515:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.