[email protected]
CAS 41672-81-5 DIPALMITOYL HYDROXYPROLINE molecular structure lightbox
CAS RN: 41672-81-5

DIPALMITOYL HYDROXYPROLINE

  • Product code: BeautyPersonalHomeCare-4389
GET A QUOTE

41672-81-5 / (2S,4R)-1-hexadecanoyl-4-hexadecanoyloxypyrrolidine-2-carboxylic acid

Standard CAS: 41672-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41672-81-5
Multi CAS
Yes
Molecular Formula
C37H69NO5
Molecular Weight
607.900000
Exact Mass
607.517574
InChI
InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1
InChIKey
QZLXCFQVOCEKSX-NOCHOARKSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.92
Rotatable bonds
30
H-bond acceptors
4
H-bond donors
1
Molar refractivity
178.26
TPSA
83.91

LogP / Solubility

WLOGP
10.55
MLOGP
9.33
XLogP3
14.1
Consensus LogP
11.33
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-12.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us