UPCMLD0ENAT0502-5159:001
TL;DR: UPCMLD0ENAT0502-5159:001 (CAS 438023-18-8) is a chemical compound with molecular formula C29H24BrN3S and molecular weight 525.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-N,2-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: UPCMLD0ENAT0502-5159:001, 1-(4-bromophenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C29H24BrN3S |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | 7.9612 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.0874 |
| Heavy Atoms | 34 |
| Complexity | 1481.9785 |
Chemical Identifiers
| CAS Number | 438023-18-8 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT0502-5159:001 (CAS 438023-18-8), with molecular formula C29H24BrN3S and molecular weight 525.09 g/mol. IUPAC: 6-(4-bromophenyl)-N,2-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of UPCMLD0ENAT0502-5159:001
Property Insights of UPCMLD0ENAT0502-5159:001
The XLogP value of 7.9612 indicates that UPCMLD0ENAT0502-5159:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, UPCMLD0ENAT0502-5159:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0502-5159:001 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0502-5159:001?
The CAS number of UPCMLD0ENAT0502-5159:001 is 438023-18-8.
What is the molecular formula of UPCMLD0ENAT0502-5159:001?
The molecular formula of UPCMLD0ENAT0502-5159:001 is C29H24BrN3S.
What is the molecular weight of UPCMLD0ENAT0502-5159:001?
The molecular weight of UPCMLD0ENAT0502-5159:001 is 525.09 g/mol.
Where can I buy UPCMLD0ENAT0502-5159:001?
You can request a quote for UPCMLD0ENAT0502-5159:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0502-5159:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0502-5159:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.