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CAS 1233937-39-7 Vitamin K1-d7 molecular structure lightbox
CAS RN: 1233937-39-7

Vitamin K1-d7

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 1mg In stock Shanghai Inquiry
  • Product code: SSC-027087
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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: 0.001g
  • 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 1233937-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ＞97% 0 Out of Stock Hong Kong Inquiry

1233937-39-7 / 5,6,7,8-tetradeuterio-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3-(trideuteriomethyl)naphthalene-1,4-dione

Standard CAS: 1233937-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233937-39-7
Multi CAS
No
Molecular Formula
C31H46O2
Molecular Weight
457.700000
Exact Mass
457.393718
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)[2H])[2H]
InChI
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/i6D3,7D,8D,18D,19D
InChIKey
MBWXNTAXLNYFJB-VKXGTQFMSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
140.9
TPSA
34.14

LogP / Solubility

WLOGP
9.16
MLOGP
8.09
XLogP3
10.9
Consensus LogP
9.38
Log S (ESOL)
-7.61
Class (ESOL)
Insoluble
Log S (Ali)
-9.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.03

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
3.5

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