"NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"
TL;DR: "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" (CAS 139147-83-4) is a chemical compound with molecular formula C16H14O7S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6S,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-4,9-dioxa-2-thiatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),12,14,16-tetraene-11,18-dione
Also Known As: "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione", (2R,3S,4S,4aR,12aS)-3,4-dihydroxy-2-(hydroxymethyl)-4,4a-dihydro-2H-naphtho[2,3-b]pyrano[2,3-e][1,4]oxathiine-6,11(3H,12aH)-dione
| Molecular Formula | C16H14O7S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | -0.1518 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.04602 |
| Heavy Atoms | 24 |
| Complexity | 758.5477 |
Chemical Identifiers
| CAS Number | 139147-83-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)S[C@H]4[C@H](O3)[C@H]([C@@H]([C@H](O4)CO)O)O |
Product Overview
"NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" (CAS 139147-83-4), with molecular formula C16H14O7S and molecular weight 350.05 g/mol. IUPAC: (3S,5R,6S,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-4,9-dioxa-2-thiatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),12,14,16-tetraene-11,18-dione.
Chemical Property Profile of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"
Property Insights of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"
The XLogP value of -0.1518 indicates that "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione". Following Lipinski's Rule of Five, "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" has 3 hydrogen bond donor(s) and 8 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 "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"?
The CAS number of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" is 139147-83-4.
What is the molecular formula of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"?
The molecular formula of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" is C16H14O7S.
What is the molecular weight of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"?
The molecular weight of "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" is 350.05 g/mol.
Where can I buy "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"?
You can request a quote for "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione"?
Yes, KEHONG BIO provides custom synthesis services for "NCGC00160269-01!3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione" and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.