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CAS 17086-28-1 Doxycycline monohydrate molecular structure lightbox
CAS RN: 17086-28-1

Doxycycline monohydrate

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 100g In stock Inquiry
Batchno.20250515 1g In stock Inquiry
Batchno.20250603 25g In stock Inquiry
Batchno.20251216 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 1g In stock Shanghai Inquiry
Batchno.20260516 250mg In stock Shanghai Inquiry
Batchno.20250515 5g Out of stock Inquiry
  • Product code: SSC-075257
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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 17086-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

17086-28-1 / (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate

Standard CAS: 17086-28-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17086-28-1
Multi CAS
No
Molecular Formula
C22H26N2O9
Molecular Weight
462.400000
Exact Mass
462.163830
SMILES
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O
InChI
InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1
InChIKey
FZKWRPSUNUOXKJ-CVHRZJFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
6
Molar refractivity
113.96
TPSA
213.12

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.14
XLogP3
-1.33
Consensus LogP
-1.27
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-6.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (43.2%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (38.5%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (13.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (38.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (38.5%): 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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