A3771/0160005
TL;DR: A3771/0160005 (CAS 727676-47-3) is a chemical compound with molecular formula C16H13NO6S2 and molecular weight 379.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methoxy-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-10-yl)acetic acid
Also Known As: A3771/0160005, (8-methoxy-2,6-dioxo-3,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-5a(6H)-yl)acetic acid, 2-(4-methoxy-6,10-dioxo-7H,9H,11bH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chrom an-6a-yl)acetic acid, 2-(8-methoxy-2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-5a-yl)acetic acid, 2-[8-METHOXY-2,6-DIOXO-3,11B-DIHYDRO-2H,5H-CHROMENO[4',3':4,5]THIOPYRANO[2,3-D][1,3]THIAZOL-5(6H)-YL]ACETIC ACID
| Molecular Formula | C16H13NO6S2 |
|---|---|
| Molecular Weight | 379.02 g/mol |
| LogP | 2.0627 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.01843 |
| Heavy Atoms | 25 |
| Complexity | 948.34186 |
Chemical Identifiers
| CAS Number | 727676-47-3 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C3(C2C4=C(NC(=O)S4)SC3)CC(=O)O |
Product Overview
A3771/0160005 (CAS 727676-47-3), with molecular formula C16H13NO6S2 and molecular weight 379.02 g/mol. IUPAC: 2-(6-methoxy-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-10-yl)acetic acid.
Chemical Property Profile of A3771/0160005
Property Insights of A3771/0160005
The XLogP value of 2.0627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3771/0160005. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A3771/0160005. Following Lipinski's Rule of Five, A3771/0160005 has 2 hydrogen bond donor(s) and 7 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 A3771/0160005?
The CAS number of A3771/0160005 is 727676-47-3.
What is the molecular formula of A3771/0160005?
The molecular formula of A3771/0160005 is C16H13NO6S2.
What is the molecular weight of A3771/0160005?
The molecular weight of A3771/0160005 is 379.02 g/mol.
Where can I buy A3771/0160005?
You can request a quote for A3771/0160005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3771/0160005?
Yes, KEHONG BIO provides custom synthesis services for A3771/0160005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.