BPBHP
TL;DR: BPBHP (CAS 155289-55-7) is a chemical compound with molecular formula C23H31N5OS and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,8aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
Also Known As: BPBHP, 2-(4-(4-(3-(1,2-Benzisothiazolyl))-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone, (4aR,8aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one, 2-(4-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone trans-(+-)-, 1(2H)-Phthalazinone, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-, trans-(+-)-
| Molecular Formula | C23H31N5OS |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 3.8329 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.22495 |
| Heavy Atoms | 30 |
| Complexity | 903.88544 |
Chemical Identifiers
| CAS Number | 155289-55-7 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)C=NN(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 |
Product Overview
BPBHP (CAS 155289-55-7), with molecular formula C23H31N5OS and molecular weight 425.22 g/mol. IUPAC: (4aR,8aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one.
Chemical Property Profile of BPBHP
Property Insights of BPBHP
The XLogP value of 3.8329 indicates that BPBHP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.04 Ų, BPBHP exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BPBHP has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BPBHP?
The CAS number of BPBHP is 155289-55-7.
What is the molecular formula of BPBHP?
The molecular formula of BPBHP is C23H31N5OS.
What is the molecular weight of BPBHP?
The molecular weight of BPBHP is 425.22 g/mol.
Where can I buy BPBHP?
You can request a quote for BPBHP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BPBHP?
Yes, KEHONG BIO provides custom synthesis services for BPBHP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.