UPCMLD0ENAT0511-8033:001
TL;DR: UPCMLD0ENAT0511-8033:001 (CAS 352564-81-9) is a chemical compound with molecular formula C31H34N4OS and molecular weight 510.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
Also Known As: UPCMLD0ENAT0511-8033:001, AI-020/37280025, 2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-oxoethyl 5-phenyl-1H-imidazol-2-yl sulfide, 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C31H34N4OS |
|---|---|
| Molecular Weight | 510.25 g/mol |
| LogP | 7.091 |
| Topological Polar Surface Area | 53.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.24533 |
| Heavy Atoms | 37 |
| Complexity | 1432.4463 |
Chemical Identifiers
| CAS Number | 352564-81-9 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC3=C(C=C2)N4CCN(C5C4=C3CCC5)C(=O)CSC6=NC=C(N6)C7=CC=CC=C7 |
Product Overview
UPCMLD0ENAT0511-8033:001 (CAS 352564-81-9), with molecular formula C31H34N4OS and molecular weight 510.25 g/mol. IUPAC: 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT0511-8033:001
Property Insights of UPCMLD0ENAT0511-8033:001
The XLogP value of 7.091 indicates that UPCMLD0ENAT0511-8033:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.92 Ų, UPCMLD0ENAT0511-8033:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0511-8033:001 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0511-8033:001?
The CAS number of UPCMLD0ENAT0511-8033:001 is 352564-81-9.
What is the molecular formula of UPCMLD0ENAT0511-8033:001?
The molecular formula of UPCMLD0ENAT0511-8033:001 is C31H34N4OS.
What is the molecular weight of UPCMLD0ENAT0511-8033:001?
The molecular weight of UPCMLD0ENAT0511-8033:001 is 510.25 g/mol.
Where can I buy UPCMLD0ENAT0511-8033:001?
You can request a quote for UPCMLD0ENAT0511-8033:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0511-8033:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0511-8033:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.