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CAS 4373-34-6 AJMALICINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 4373-34-6

AJMALICINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS4373-34-6
  • Purity/Analytical Methods: >99.0%
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4373-34-6 / methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride

Standard CAS: 4373-34-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4373-34-6
Multi CAS
Yes
Molecular Formula
C21H25CLN2O3
Molecular Weight
388.900000
Exact Mass
388.155370
InChI
InChI=1S/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H/t12-,15-,16+,19-;/m0./s1
InChIKey
YWPZOTNKHMBWPD-QAWKRFFXSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.48
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.81
TPSA
54.56

LogP / Solubility

WLOGP
3.6
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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