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CAS 106685-40-9 Adapalene molecular structure lightbox
CAS RN: 106685-40-9

Adapalene

Product Availability

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12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100g In stock Shanghai Inquiry
Batchno.20250107 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251001 1mg In stock Shanghai Inquiry
Batchno.20251205 250mg In stock Shanghai Inquiry
Batchno.20250716 25g In stock Shanghai, Wuhan Inquiry
Batchno.20260618 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg In stock Inquiry
Batchno.20250409 1g In stock Inquiry
Batchno.20260621 250mg In stock Inquiry
Batchno.20250103 25g In stock Inquiry
Batchno.20250621 5g In stock Inquiry
  • Product code: SSC-008228
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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: 5g
  • 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 106685-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

106685-40-9 / 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid

ADAPALENE | Differin | Adapaleno

Standard CAS: 106685-40-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106685-40-9
Multi CAS
Yes
Molecular Formula
C28H28O3
Molecular Weight
412.500000
Exact Mass
412.203845
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
InChIKey
LZCDAPDGXCYOEH-UHFFFAOYSA-N
Synonyms
ADAPALENE Differin Adapaleno Adapalenum Adaferin

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
122.75
TPSA
46.53

LogP / Solubility

WLOGP
6.68
MLOGP
5.91
XLogP3
7.7
Consensus LogP
6.76
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (72.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (54.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (72.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (18.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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