UPCMLD0ENAT0513-6787:001
TL;DR: UPCMLD0ENAT0513-6787:001 (CAS 618394-70-0) is a chemical compound with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: UPCMLD0ENAT0513-6787:001, N-(4-tert-butylphenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide, N-[4-(tert-butyl)phenyl]-2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]th iophen-4-ylthio)acetamide
| Molecular Formula | C21H23N3OS2 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 5.2083 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.12827 |
| Heavy Atoms | 27 |
| Complexity | 987.06964 |
Chemical Identifiers
| CAS Number | 618394-70-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
Product Overview
UPCMLD0ENAT0513-6787:001 (CAS 618394-70-0), with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol. IUPAC: N-(4-tert-butylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of UPCMLD0ENAT0513-6787:001
Property Insights of UPCMLD0ENAT0513-6787:001
The XLogP value of 5.2083 indicates that UPCMLD0ENAT0513-6787:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, UPCMLD0ENAT0513-6787:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6787:001 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 UPCMLD0ENAT0513-6787:001?
The CAS number of UPCMLD0ENAT0513-6787:001 is 618394-70-0.
What is the molecular formula of UPCMLD0ENAT0513-6787:001?
The molecular formula of UPCMLD0ENAT0513-6787:001 is C21H23N3OS2.
What is the molecular weight of UPCMLD0ENAT0513-6787:001?
The molecular weight of UPCMLD0ENAT0513-6787:001 is 397.13 g/mol.
Where can I buy UPCMLD0ENAT0513-6787:001?
You can request a quote for UPCMLD0ENAT0513-6787:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6787:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6787:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.