BAS 13776483
TL;DR: BAS 13776483 (CAS 1005152-28-2) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
Also Known As: BAS 13776483, A4049/0172704, 4-[[2-[1-(5-bicyclo[2.2.1]hept-2-enyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid, 4-[2-(1-Bicyclo[2.2.1]hept-5-en-2-yl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-benzoic acid, 4-({2-[(1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]ACETYL}AMINO)BENZOIC ACID
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.2392 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 863.5382 |
Chemical Identifiers
| CAS Number | 1005152-28-2 |
|---|---|
| SMILES | C1C2CC(C1C=C2)N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
BAS 13776483 (CAS 1005152-28-2), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 4-[[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid.
Chemical Property Profile of BAS 13776483
Property Insights of BAS 13776483
The XLogP value of 2.2392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776483. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776483. Following Lipinski's Rule of Five, BAS 13776483 has 2 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 13776483?
The CAS number of BAS 13776483 is 1005152-28-2.
What is the molecular formula of BAS 13776483?
The molecular formula of BAS 13776483 is C17H17N5O3S.
What is the molecular weight of BAS 13776483?
The molecular weight of BAS 13776483 is 371.11 g/mol.
Where can I buy BAS 13776483?
You can request a quote for BAS 13776483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776483?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.