UPCMLD0ENAT0513-8001:001
TL;DR: UPCMLD0ENAT0513-8001:001 (CAS 315696-19-6) is a chemical compound with molecular formula C21H20N4OS3 and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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: UPCMLD0ENAT0513-8001:001, AB00685718-01, AF-399/15335160, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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, F1174-1980
| Molecular Formula | C21H20N4OS3 |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 5.0312 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.07993 |
| Heavy Atoms | 29 |
| Complexity | 1171.2439 |
Chemical Identifiers
| CAS Number | 315696-19-6 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N |
Product Overview
UPCMLD0ENAT0513-8001:001 (CAS 315696-19-6), with molecular formula C21H20N4OS3 and molecular weight 440.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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 UPCMLD0ENAT0513-8001:001
Property Insights of UPCMLD0ENAT0513-8001:001
The XLogP value of 5.0312 indicates that UPCMLD0ENAT0513-8001:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-8001:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-8001:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-8001:001?
The CAS number of UPCMLD0ENAT0513-8001:001 is 315696-19-6.
What is the molecular formula of UPCMLD0ENAT0513-8001:001?
The molecular formula of UPCMLD0ENAT0513-8001:001 is C21H20N4OS3.
What is the molecular weight of UPCMLD0ENAT0513-8001:001?
The molecular weight of UPCMLD0ENAT0513-8001:001 is 440.08 g/mol.
Where can I buy UPCMLD0ENAT0513-8001:001?
You can request a quote for UPCMLD0ENAT0513-8001:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-8001:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-8001:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.