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CAS 3627-01-8 H-Resorcinol [Spectrophotometric reagent for the determination of B by FIA] molecular structure lightbox
CAS RN: 3627-01-8

H-Resorcinol [Spectrophotometric reagent for the determination of B by FIA]

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-143460
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3627-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3627-01-8 / disodium;4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

Standard CAS: 3627-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3627-01-8
Multi CAS
Yes
Molecular Formula
C16H10N2NA2O9S2
Molecular Weight
484.400000
Exact Mass
483.962311
InChI
InChI=1S/C16H12N2O9S2.2Na/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,19-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
KBLGETIFHKVSQU-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
3
Molar refractivity
95.49
TPSA
199.81

LogP / Solubility

WLOGP
-3.81
MLOGP
-3.32
XLogP3
-3.81
Consensus LogP
-3.65
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.38

Drug-likeness / Medicinal Chemistry

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

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