AB00729533-01
TL;DR: AB00729533-01 (CAS 794582-27-7) is a chemical compound with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AB00729533-01, 4-chloro-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-Chloro-7-methyl-2-(pyridin-3-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-chloro-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 3-chloro-11-methyl-5-(pyridin-3-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C16H14ClN3S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.5315 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0597 |
| Heavy Atoms | 21 |
| Complexity | 813.2502 |
Chemical Identifiers
| CAS Number | 794582-27-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl |
Product Overview
AB00729533-01 (CAS 794582-27-7), with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol. IUPAC: 4-chloro-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AB00729533-01
Property Insights of AB00729533-01
The XLogP value of 4.5315 indicates that AB00729533-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, AB00729533-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00729533-01 has 0 hydrogen bond donor(s) and 4 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 AB00729533-01?
The CAS number of AB00729533-01 is 794582-27-7.
What is the molecular formula of AB00729533-01?
The molecular formula of AB00729533-01 is C16H14ClN3S.
What is the molecular weight of AB00729533-01?
The molecular weight of AB00729533-01 is 315.06 g/mol.
Where can I buy AB00729533-01?
You can request a quote for AB00729533-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00729533-01?
Yes, KEHONG BIO provides custom synthesis services for AB00729533-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.