CAS 58337-38-5 erythro-9-(2-Hydroxy-3-nonyl)adenine hydrochloride, erythro-9-Amino-β-hexyl-α-methyl-9H-purine-9-ethanol hydrochloride molecular structure

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CAS RN: 58337-38-5

erythro-9-(2-Hydroxy-3-nonyl)adenine hydrochloride, erythro-9-Amino-β-hexyl-α-methyl-9H-purine-9-ethanol hydrochloride

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4 package records2 with current stock2 grade groups

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250117	5mg	Out of stock	5-7 business days	Inquiry

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Batchno.20260526	10mg	In stock	Inquiry
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Product code: starshine_CAS58337-38-5
Purity/Analytical Methods: >99.0%

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58337-38-5 / 3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride

Standard CAS: 58337-38-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

58337-38-5

Multi CAS

Yes

Molecular Formula

C14H24CLN5O

Molecular Weight

313.820000

Exact Mass

313.166938

InChI

InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1

InChIKey

VVDXNJRUNJMYOZ-DHXVBOOMSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.64

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

86.46

TPSA

89.85

LogP / Solubility

WLOGP

2.72

MLOGP

2.41

XLogP3

2.72

Consensus LogP

2.62

Log S (ESOL)

-3.36

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.1

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.8

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.7

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

3.5

erythro-9-(2-Hydroxy-3-nonyl)adenine hydrochloride, erythro-9-Amino-β-hexyl-α-methyl-9H-purine-9-ethanol hydrochloride

Product Availability

58337-38-5 / 3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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