J1.510.831B
TL;DR: J1.510.831B (CAS 351013-89-3) is a chemical compound with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate
Also Known As: J1.510.831B, AB01308535-01, (4-Amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2-ylthio)acetic acid methyl ester, methyl [(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl 2-((4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C14H17N3O2S2 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.8075 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07623 |
| Heavy Atoms | 21 |
| Complexity | 684.39923 |
Chemical Identifiers
| CAS Number | 351013-89-3 |
|---|---|
| SMILES | COC(=O)CSC1=NC(=C2C3=C(CCCCC3)SC2=N1)N |
Product Overview
J1.510.831B (CAS 351013-89-3), with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol. IUPAC: methyl 2-[(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate.
Chemical Property Profile of J1.510.831B
Property Insights of J1.510.831B
The XLogP value of 2.8075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.510.831B. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.510.831B. Following Lipinski's Rule of Five, J1.510.831B has 1 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 J1.510.831B?
The CAS number of J1.510.831B is 351013-89-3.
What is the molecular formula of J1.510.831B?
The molecular formula of J1.510.831B is C14H17N3O2S2.
What is the molecular weight of J1.510.831B?
The molecular weight of J1.510.831B is 323.08 g/mol.
Where can I buy J1.510.831B?
You can request a quote for J1.510.831B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.510.831B?
Yes, KEHONG BIO provides custom synthesis services for J1.510.831B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.