BAS 03072463
TL;DR: BAS 03072463 (CAS 428848-39-9) is a chemical compound with molecular formula C17H21N5S and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-imidazol-1-ylpropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-imine
Also Known As: BAS 03072463, 3-(3-(1H-imidazol-1-yl)propyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-imine, 3-(3-imidazol-1-ylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidin-4-imine, 3-[3-(1H-imidazol-1-yl)propyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
| Molecular Formula | C17H21N5S |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.15176 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 428848-39-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=N)N(C=N3)CCCN4C=CN=C4 |
| InChIKey | UMGIFIYUCDKWDB-UHFFFAOYSA-N |
Product Overview
BAS 03072463 (CAS 428848-39-9), with molecular formula C17H21N5S and molecular weight 327.15 g/mol. IUPAC: 4-(3-imidazol-1-ylpropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-imine.
Chemical Property Profile of BAS 03072463
Property Insights of BAS 03072463
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03072463. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03072463. Following Lipinski's Rule of Five, BAS 03072463 has 1 hydrogen bond donor(s) and 4 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 03072463?
The CAS number of BAS 03072463 is 428848-39-9.
What is the molecular formula of BAS 03072463?
The molecular formula of BAS 03072463 is C17H21N5S.
What is the molecular weight of BAS 03072463?
The molecular weight of BAS 03072463 is 327.15 g/mol.
Where can I buy BAS 03072463?
You can request a quote for BAS 03072463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03072463?
Yes, KEHONG BIO provides custom synthesis services for BAS 03072463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.