CAS 3963-95-9 Metacycline hydrochloride molecular structure

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CAS RN: 3963-95-9

Metacycline hydrochloride

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4 package records2 with current stock4 grade groups

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250124	1ml	In stock			Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260427	1ml	Out of stock		5-7 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260624	250mg / 1g / 5g / 25g / 100g	Confirm by inquiry	Shandong, Hebei, Shanghai		Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260602	1ml	Out of stock		8-10 business days	Inquiry

Product code: SSC-147337

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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: 0.1g
Available purity: ≥98%
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 3963-95-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥98%	0 Out of Stock	Shanghai	Inquiry

3963-95-9 / (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

Standard CAS: 3963-95-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

3963-95-9

Multi CAS

Yes

Molecular Formula

C22H23CLN2O8

Molecular Weight

478.900000

Exact Mass

478.114293

InChI

InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1

InChIKey

VXPSARQTYDZXAO-CCHMMTNSSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.32

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

118.21

TPSA

181.62

LogP / Solubility

WLOGP

-0.17

MLOGP

-0.12

XLogP3

-0.17

Consensus LogP

-0.15

Log S (ESOL)

-2.7

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.36

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-2.87

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.76

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Metacycline hydrochloride

Product Availability

Historical Supply Reference

Reference Pack Sizes

3963-95-9 / (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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