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CAS 386750-22-7 Desvenlafaxine succinate molecular structure lightbox
CAS RN: 386750-22-7

Desvenlafaxine succinate

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 1g In stock Shanghai Inquiry
Batchno.20260318 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS386750-22-7
  • Purity/Analytical Methods: >99.0%
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386750-22-7 / butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

Standard CAS: 386750-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
386750-22-7
Multi CAS
Yes
Molecular Formula
C20H31NO6
Molecular Weight
381.500000
Exact Mass
381.215138
InChI
InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
InChIKey
PWPDEXVGKDEKTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
101.94
TPSA
118.3

LogP / Solubility

WLOGP
2.67
MLOGP
2.37
XLogP3
2.67
Consensus LogP
2.57
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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