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CAS 3513-03-9 BLASTICIDIN S HYDROCHLORIDE molecular structure lightbox
CAS RN: 3513-03-9

BLASTICIDIN S HYDROCHLORIDE

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8 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 10mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260428 200mg In stock Shanghai, Shandong Inquiry
Batchno.20250514 50mg In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 10ml Out of stock Inquiry
Batchno.20251107 1ml In stock Shanghai Inquiry
Batchno.20250218 1ml In stock Inquiry
Batchno.20251207 5ml Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 1ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS3513-03-9
  • Purity/Analytical Methods: >99.0%
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3513-03-9 / 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride

Standard CAS: 3513-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3513-03-9
Multi CAS
Yes
Molecular Formula
C17H27CLN8O5
Molecular Weight
458.900000
Exact Mass
458.179294
InChI
InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H
InChIKey
YQXYQOXRCNEATG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
6
Molar refractivity
114.53
TPSA
215.67

LogP / Solubility

WLOGP
-1.8
MLOGP
-1.55
XLogP3
-1.8
Consensus LogP
-1.72
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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