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CAS 16009-13-5 Hemin molecular structure lightbox
CAS RN: 16009-13-5

Hemin

Product Availability

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11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250118 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260305 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260602 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250531 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250804 500g In stock Shanghai Inquiry
Batchno.20250527 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100g In stock Inquiry
Batchno.20260402 1g In stock Inquiry
Batchno.20250822 25g In stock Inquiry
Batchno.20250102 500g In stock Inquiry
Batchno.20250527 5g In stock Inquiry
  • Product code: SSC-068067
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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: 100g
  • 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 16009-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

16009-13-5 / 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride

Standard CAS: 16009-13-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16009-13-5
Multi CAS
No
Molecular Formula
C34H32ClFeN4O4
Molecular Weight
651.900000
Exact Mass
651.146144
SMILES
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
InChI
InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
20
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
165.7
TPSA
128.58

LogP / Solubility

WLOGP
3.46
MLOGP
3.1
XLogP3
3.46
Consensus LogP
3.34
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (20%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

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