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CAS 55661-38-6 Nimustine Hydrochloride molecular structure lightbox
CAS RN: 55661-38-6

Nimustine Hydrochloride

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250802 1g In stock Shanghai Inquiry
Batchno.20251114 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260105 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 100mg In stock Shanghai Inquiry
Batchno.20251123 1g In stock Shanghai Inquiry
Batchno.20251119 250mg In stock Shanghai Inquiry
Batchno.20250124 50mg In stock Shanghai Inquiry
Batchno.20260315 5g In stock Shanghai Inquiry
  • Product code: SSC-163580
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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 55661-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

55661-38-6 / 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride

Standard CAS: 55661-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55661-38-6
Multi CAS
Yes
Molecular Formula
C9H14CL2N6O2
Molecular Weight
309.150000
Exact Mass
308.055529
InChI
InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H
InChIKey
KPMKNHGAPDCYLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
73.89
TPSA
113.57

LogP / Solubility

WLOGP
1.22
MLOGP
1.09
XLogP3
1.22
Consensus LogP
1.18
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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