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CAS 138977-28-3 CAPSAZEPINE molecular structure lightbox
CAS RN: 138977-28-3

CAPSAZEPINE

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 10mg In stock Shanghai, Shandong Inquiry
Batchno.20260119 50mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251005 5mg In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 100mg Out of stock Inquiry
Batchno.20250418 10mg In stock Inquiry
Batchno.20260606 250mg Out of stock Inquiry
Batchno.20260307 25mg In stock Inquiry
Batchno.20251023 50mg In stock Inquiry
Batchno.20260515 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 1ml In stock Inquiry
  • Product code: SSC-049122
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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: 0.25g
  • 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 138977-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

138977-28-3 / N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide

Standard CAS: 138977-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138977-28-3
Multi CAS
No
Molecular Formula
C19H21ClN2O2S
Molecular Weight
376.900000
Exact Mass
376.101227
SMILES
C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O
InChI
InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
InChIKey
DRCMAZOSEIMCHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
104.26
TPSA
55.73

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.9
Consensus LogP
3.57
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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