A3781/0160498
TL;DR: A3781/0160498 (CAS 487035-64-3) is a chemical compound with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: A3781/0160498, N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)-N-(2-furylmethyl)amine, N-(furan-2-ylmethyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine, N-(furan-2-ylmethyl)-2,2-dimethyl-5-morpholino-2,4-dihydro-1H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
| Molecular Formula | C22H24N6O2S2 |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.14023 |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 487035-64-3 |
|---|---|
| SMILES | CC1(CC2=C(CS1)C(=NC3=C2C4=C(S3)C(=NN=N4)NCC5=CC=CO5)N6CCOCC6)C |
| InChIKey | AMQHKHNFHSKNBX-UHFFFAOYSA-N |
Product Overview
A3781/0160498 (CAS 487035-64-3), with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of A3781/0160498
Property Insights of A3781/0160498
The XLogP value of 3.1 indicates that A3781/0160498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting A3781/0160498 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3781/0160498 has 1 hydrogen bond donor(s) and 10 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 A3781/0160498?
The CAS number of A3781/0160498 is 487035-64-3.
What is the molecular formula of A3781/0160498?
The molecular formula of A3781/0160498 is C22H24N6O2S2.
What is the molecular weight of A3781/0160498?
The molecular weight of A3781/0160498 is 468.14 g/mol.
Where can I buy A3781/0160498?
You can request a quote for A3781/0160498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3781/0160498?
Yes, KEHONG BIO provides custom synthesis services for A3781/0160498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.