![CAS 615257-74-4 2,2μ-[(1R,3R)-2,3,5,10-Tetrahydro-5,10-dioxo-2-phenyl-1H-[1,2,4]diazaphospholo[1,2-b]phthalazine-1,3-diyl]bis[N-[(1S)-1-phenylethyl]benzamide] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/615257-74-4.gif)
CAS RN: 615257-74-4
2,2μ-[(1R,3R)-2,3,5,10-Tetrahydro-5,10-dioxo-2-phenyl-1H-[1,2,4]diazaphospholo[1,2-b]phthalazine-1,3-diyl]bis[N-[(1S)-1-phenylethyl]benzamide]
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS615257-74-4
- Purity/Analytical Methods: >99.0%
615257-74-4 / 2-[(1R,3R)-5,10-dioxo-2-phenyl-3-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
Basic Information
CAS
615257-74-4
Multi CAS
Yes
Molecular Formula
C46H39N4O4P
Molecular Weight
742.800000
Exact Mass
742.270893
InChI
InChI=1S/C46H39N4O4P/c1-30(32-18-6-3-7-19-32)47-41(51)35-24-12-16-28-39(35)45-49-43(53)37-26-14-15-27-38(37)44(54)50(49)46(55(45)34-22-10-5-11-23-34)40-29-17-13-25-36(40)42(52)48-31(2)33-20-8-4-9-21-33/h3-31,45-46H,1-2H3,(H,47,51)(H,48,52)/t30-,31-,45+,46+/m0/s1
InChIKey
XLHCPIVFAWUOET-JBVOVCRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
40
Fraction Csp3
0.13
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
219.27
TPSA
102.2
LogP / Solubility
WLOGP
8.06
MLOGP
7.16
XLogP3
7.4
Consensus LogP
7.54
Log S (ESOL)
-9.47
Class (ESOL)
Insoluble
Log S (Ali)
-11.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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