UPCMLD0ENAT0513-6116:001
TL;DR: UPCMLD0ENAT0513-6116:001 (CAS 496026-03-0) is a chemical compound with molecular formula C23H24N4OS3 and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: UPCMLD0ENAT0513-6116:001, AF-399/40923418, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(2-methyl(5,6, 7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio))acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C23H24N4OS3 |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 5.6673 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.11124 |
| Heavy Atoms | 31 |
| Complexity | 1220.088 |
Chemical Identifiers
| CAS Number | 496026-03-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C |
Product Overview
UPCMLD0ENAT0513-6116:001 (CAS 496026-03-0), with molecular formula C23H24N4OS3 and molecular weight 468.11 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of UPCMLD0ENAT0513-6116:001
Property Insights of UPCMLD0ENAT0513-6116:001
The XLogP value of 5.6673 indicates that UPCMLD0ENAT0513-6116:001 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 UPCMLD0ENAT0513-6116:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6116:001 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 UPCMLD0ENAT0513-6116:001?
The CAS number of UPCMLD0ENAT0513-6116:001 is 496026-03-0.
What is the molecular formula of UPCMLD0ENAT0513-6116:001?
The molecular formula of UPCMLD0ENAT0513-6116:001 is C23H24N4OS3.
What is the molecular weight of UPCMLD0ENAT0513-6116:001?
The molecular weight of UPCMLD0ENAT0513-6116:001 is 468.11 g/mol.
Where can I buy UPCMLD0ENAT0513-6116:001?
You can request a quote for UPCMLD0ENAT0513-6116:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6116:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6116:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.