BAS 00404413
TL;DR: BAS 00404413 (CAS 200959-75-7) is a chemical compound with molecular formula C13H16N4OS2 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-12,12-dimethyl-4,11-dithia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carbohydrazide
Also Known As: BAS 00404413, 3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carbohydrazide
| Molecular Formula | C13H16N4OS2 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.0499 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.07657 |
| Heavy Atoms | 20 |
| Complexity | 707.94934 |
Chemical Identifiers
| CAS Number | 200959-75-7 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CS1)C(=C(S3)C(=O)NN)N)C |
Product Overview
BAS 00404413 (CAS 200959-75-7), with molecular formula C13H16N4OS2 and molecular weight 308.08 g/mol. IUPAC: 6-amino-12,12-dimethyl-4,11-dithia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carbohydrazide.
Chemical Property Profile of BAS 00404413
Property Insights of BAS 00404413
The XLogP value of 2.0499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00404413. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00404413. Following Lipinski's Rule of Five, BAS 00404413 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00404413?
The CAS number of BAS 00404413 is 200959-75-7.
What is the molecular formula of BAS 00404413?
The molecular formula of BAS 00404413 is C13H16N4OS2.
What is the molecular weight of BAS 00404413?
The molecular weight of BAS 00404413 is 308.08 g/mol.
Where can I buy BAS 00404413?
You can request a quote for BAS 00404413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00404413?
Yes, KEHONG BIO provides custom synthesis services for BAS 00404413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.