UPCMLD0ENAT0513-6557:001
TL;DR: UPCMLD0ENAT0513-6557:001 (CAS 452923-38-5) is a chemical compound with molecular formula C19H15ClF3N3OS2 and molecular weight 457.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-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: UPCMLD0ENAT0513-6557:001, N-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl(5,6,7-trihydrocyclopenta[2, 1-d]pyrimidino[4,5-b]thiophen-4-ylthio))acetamide
| Molecular Formula | C19H15ClF3N3OS2 |
|---|---|
| Molecular Weight | 457.03 g/mol |
| LogP | 5.89142 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.02972 |
| Heavy Atoms | 29 |
| Complexity | 1114.2529 |
Chemical Identifiers
| CAS Number | 452923-38-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
UPCMLD0ENAT0513-6557:001 (CAS 452923-38-5), with molecular formula C19H15ClF3N3OS2 and molecular weight 457.03 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-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 UPCMLD0ENAT0513-6557:001
Property Insights of UPCMLD0ENAT0513-6557:001
The XLogP value of 5.89142 indicates that UPCMLD0ENAT0513-6557:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, UPCMLD0ENAT0513-6557:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6557:001 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 UPCMLD0ENAT0513-6557:001?
The CAS number of UPCMLD0ENAT0513-6557:001 is 452923-38-5.
What is the molecular formula of UPCMLD0ENAT0513-6557:001?
The molecular formula of UPCMLD0ENAT0513-6557:001 is C19H15ClF3N3OS2.
What is the molecular weight of UPCMLD0ENAT0513-6557:001?
The molecular weight of UPCMLD0ENAT0513-6557:001 is 457.03 g/mol.
Where can I buy UPCMLD0ENAT0513-6557:001?
You can request a quote for UPCMLD0ENAT0513-6557:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6557:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6557:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.