AB01303731-01
TL;DR: AB01303731-01 (CAS 383903-76-2) is a chemical compound with molecular formula C22H24N2O5S2 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-methoxyphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: AB01303731-01, methyl {[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((6-isopropyl-3-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C22H24N2O5S2 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 3.8182 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.11267 |
| Heavy Atoms | 31 |
| Complexity | 1167.3434 |
Chemical Identifiers
| CAS Number | 383903-76-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=C(C=C4)OC |
Product Overview
AB01303731-01 (CAS 383903-76-2), with molecular formula C22H24N2O5S2 and molecular weight 460.11 g/mol. IUPAC: methyl 2-[[4-(4-methoxyphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
Chemical Property Profile of AB01303731-01
Property Insights of AB01303731-01
The XLogP value of 3.8182 indicates that AB01303731-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01303731-01. Following Lipinski's Rule of Five, AB01303731-01 has 0 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 AB01303731-01?
The CAS number of AB01303731-01 is 383903-76-2.
What is the molecular formula of AB01303731-01?
The molecular formula of AB01303731-01 is C22H24N2O5S2.
What is the molecular weight of AB01303731-01?
The molecular weight of AB01303731-01 is 460.11 g/mol.
Where can I buy AB01303731-01?
You can request a quote for AB01303731-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01303731-01?
Yes, KEHONG BIO provides custom synthesis services for AB01303731-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.