13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene
TL;DR: 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene (CAS 73112-18-2) is a chemical compound with molecular formula C18H13N3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-11,15-dithia-2,4,22-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaene
Also Known As: methyl[?], 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene, 5H,6H-PYRIDO(3,2-B:5,6-B')BIS(1,4)BENZOTHIAZINE, 13-METHYL-, 13-methyl-5H,7H-dibenzo[e,e']pyrido[3,2-b,5,6-b']bis[1,4]thi, 5H,6H-Pyrido[3,2-b:5,6-b']bis[1,4]benzothiazine, 13-methyl-
| Molecular Formula | C18H13N3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.05508 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 73112-18-2 |
|---|---|
| SMILES | CC1=C2C(=NC3=C1SC4=CC=CC=C4N3)NC5=CC=CC=C5S2 |
| InChIKey | QSACSVXLFRHXOZ-UHFFFAOYSA-N |
Product Overview
13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene (CAS 73112-18-2), with molecular formula C18H13N3S2 and molecular weight 335.06 g/mol. IUPAC: 13-methyl-11,15-dithia-2,4,22-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaene.
Chemical Property Profile of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene
Property Insights of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene
The XLogP value of 5.3 indicates that 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene. Following Lipinski's Rule of Five, 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene?
The CAS number of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene is 73112-18-2.
What is the molecular formula of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene?
The molecular formula of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene is C18H13N3S2.
What is the molecular weight of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene?
The molecular weight of 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene is 335.06 g/mol.
Where can I buy 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene?
You can request a quote for 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene?
Yes, KEHONG BIO provides custom synthesis services for 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.