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CAS 102601-34-3 3-Cyclohexylamino-2-hydroxypropanesulfonic Acid Sodium Salt molecular structure lightbox
CAS RN: 102601-34-3

3-Cyclohexylamino-2-hydroxypropanesulfonic Acid Sodium Salt

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250626 100g In stock Inquiry
Batchno.20250812 25g In stock Inquiry
Batchno.20250510 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251106 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-003873
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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: 25g
  • Available purity: ≥97%
  • 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 102601-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

102601-34-3 / (2S)-3-anilino-2-hydroxypropane-1-sulfonate

sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate | DTXSID20648387 | RefChem:380663

Standard CAS: 102601-34-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102601-34-3
Multi CAS
Yes
Molecular Formula
C9H12NO4S-
Molecular Weight
230.260000
Exact Mass
230.048704
SMILES
C1=CC=C(C=C1)NC[C@@H](CS(=O)(=O)[O-])O
InChI
InChI=1S/C9H13NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,12,13,14)/p-1/t9-/m0/s1
InChIKey
CLEVULOKVPBHCU-VIFPVBQESA-M
Synonyms
sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate DTXSID20648387 RefChem:380663 DTXCID10599137 CAPSO sodium salt

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.5
TPSA
89.46

LogP / Solubility

MLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (95.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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