[email protected]
CAS 358730-89-9 DI-N-PENTYL PHTHALATE-D4 molecular structure lightbox
CAS RN: 358730-89-9

DI-N-PENTYL PHTHALATE-D4

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 10mg In stock Shanghai Inquiry
Batchno.20250626 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS358730-89-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

358730-89-9 / dipentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Standard CAS: 358730-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
358730-89-9
Multi CAS
Yes
Molecular Formula
C18H26O4
Molecular Weight
310.400000
Exact Mass
310.208216
InChI
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3/i7D,8D,11D,12D
InChIKey
IPKKHRVROFYTEK-CXRURWBMSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
86.06
TPSA
52.6

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
5.8
Consensus LogP
4.68
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us