UPCMLD0ENAT5747451:001
TL;DR: UPCMLD0ENAT5747451:001 (CAS 385391-80-0) is a chemical compound with molecular formula C32H28ClN5 and molecular weight 517.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: UPCMLD0ENAT5747451:001, 11-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 11-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-{4-[(4-CHLOROPHENYL)(PHENYL)METHYL]-1-PIPERAZINYL}-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 11-{4-[(4-chlorophenyl)phenylmethyl]piperazinyl}-1,2,3,10-tetrahydrobenzimidaz olo[1,2-a]cyclopenta[1,2-d]pyridine-4-carbonitrile
| Molecular Formula | C32H28ClN5 |
|---|---|
| Molecular Weight | 517.20 g/mol |
| LogP | 6.41288 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.2033 |
| Heavy Atoms | 38 |
| Complexity | 1675.429 |
Chemical Identifiers
| CAS Number | 385391-80-0 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl)C#N |
Product Overview
UPCMLD0ENAT5747451:001 (CAS 385391-80-0), with molecular formula C32H28ClN5 and molecular weight 517.20 g/mol. IUPAC: 16-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747451:001
Property Insights of UPCMLD0ENAT5747451:001
The XLogP value of 6.41288 indicates that UPCMLD0ENAT5747451:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5747451:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747451:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5747451:001?
The CAS number of UPCMLD0ENAT5747451:001 is 385391-80-0.
What is the molecular formula of UPCMLD0ENAT5747451:001?
The molecular formula of UPCMLD0ENAT5747451:001 is C32H28ClN5.
What is the molecular weight of UPCMLD0ENAT5747451:001?
The molecular weight of UPCMLD0ENAT5747451:001 is 517.20 g/mol.
Where can I buy UPCMLD0ENAT5747451:001?
You can request a quote for UPCMLD0ENAT5747451:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747451:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747451:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.