A3757/0159312
TL;DR: A3757/0159312 (CAS 727673-96-3) is a chemical compound with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propanoic acid
Also Known As: A3757/0159312, 3-(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid
| Molecular Formula | C15H16N4O3S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.2075 |
| Topological Polar Surface Area | 89.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0943 |
| Heavy Atoms | 23 |
| Complexity | 927.7328 |
Chemical Identifiers
| CAS Number | 727673-96-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC(=NN4C=N3)CCC(=O)O)C |
Product Overview
A3757/0159312 (CAS 727673-96-3), with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol. IUPAC: 3-(14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propanoic acid.
Chemical Property Profile of A3757/0159312
Property Insights of A3757/0159312
The XLogP value of 2.2075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3757/0159312. The TPSA of 89.61 Ų falls within the moderate polarity range, balancing permeability and solubility for A3757/0159312. Following Lipinski's Rule of Five, A3757/0159312 has 1 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 A3757/0159312?
The CAS number of A3757/0159312 is 727673-96-3.
What is the molecular formula of A3757/0159312?
The molecular formula of A3757/0159312 is C15H16N4O3S.
What is the molecular weight of A3757/0159312?
The molecular weight of A3757/0159312 is 332.09 g/mol.
Where can I buy A3757/0159312?
You can request a quote for A3757/0159312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3757/0159312?
Yes, KEHONG BIO provides custom synthesis services for A3757/0159312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.