UPCMLD0ENAT0513-6442:001
TL;DR: UPCMLD0ENAT0513-6442:001 (CAS 501348-88-5) is a chemical compound with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-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: UPCMLD0ENAT0513-6442:001, N-(2,4-dimethylphenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)acetamide, N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4 ,5-b]thiophen-4-ylthio))acetamide
| Molecular Formula | C20H21N3OS2 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 4.83606 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1126 |
| Heavy Atoms | 26 |
| Complexity | 1009.9492 |
Chemical Identifiers
| CAS Number | 501348-88-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)C |
Product Overview
UPCMLD0ENAT0513-6442:001 (CAS 501348-88-5), with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol. IUPAC: N-(2,4-dimethylphenyl)-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 UPCMLD0ENAT0513-6442:001
Property Insights of UPCMLD0ENAT0513-6442:001
The XLogP value of 4.83606 indicates that UPCMLD0ENAT0513-6442:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, UPCMLD0ENAT0513-6442:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6442:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-6442:001?
The CAS number of UPCMLD0ENAT0513-6442:001 is 501348-88-5.
What is the molecular formula of UPCMLD0ENAT0513-6442:001?
The molecular formula of UPCMLD0ENAT0513-6442:001 is C20H21N3OS2.
What is the molecular weight of UPCMLD0ENAT0513-6442:001?
The molecular weight of UPCMLD0ENAT0513-6442:001 is 383.11 g/mol.
Where can I buy UPCMLD0ENAT0513-6442:001?
You can request a quote for UPCMLD0ENAT0513-6442:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6442:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6442:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.