UPCMLD0ENAT0503-9473:001
TL;DR: UPCMLD0ENAT0503-9473:001 (CAS 716364-41-9) is a chemical compound with molecular formula C28H24N2OS3 and molecular weight 500.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzylidene-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Also Known As: UPCMLD0ENAT0503-9473:001, 2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-6,7,8,9-tetrahydro-5-phenyl-9-(phenylmethylene)-5H-thiazolo[2,3-b]quinazolin-3(2H)-one, 9-benzylidene-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
| Molecular Formula | C28H24N2OS3 |
|---|---|
| Molecular Weight | 500.11 g/mol |
| LogP | 6.4511 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 500.10507 |
| Heavy Atoms | 34 |
| Complexity | 1540.9834 |
Chemical Identifiers
| CAS Number | 716364-41-9 |
|---|---|
| SMILES | CC1=C(SC(=C2C(=O)N3C(C4=C(C(=CC5=CC=CC=C5)CCC4)N=C3S2)C6=CC=CC=C6)S1)C |
Product Overview
UPCMLD0ENAT0503-9473:001 (CAS 716364-41-9), with molecular formula C28H24N2OS3 and molecular weight 500.11 g/mol. IUPAC: 9-benzylidene-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one.
Chemical Property Profile of UPCMLD0ENAT0503-9473:001
Property Insights of UPCMLD0ENAT0503-9473:001
The XLogP value of 6.4511 indicates that UPCMLD0ENAT0503-9473:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, UPCMLD0ENAT0503-9473:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0503-9473:001 has 0 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 UPCMLD0ENAT0503-9473:001?
The CAS number of UPCMLD0ENAT0503-9473:001 is 716364-41-9.
What is the molecular formula of UPCMLD0ENAT0503-9473:001?
The molecular formula of UPCMLD0ENAT0503-9473:001 is C28H24N2OS3.
What is the molecular weight of UPCMLD0ENAT0503-9473:001?
The molecular weight of UPCMLD0ENAT0503-9473:001 is 500.11 g/mol.
Where can I buy UPCMLD0ENAT0503-9473:001?
You can request a quote for UPCMLD0ENAT0503-9473:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0503-9473:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0503-9473:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.