ChemDiv3_012739
TL;DR: ChemDiv3_012739 (CAS 486453-08-1) is a chemical compound with molecular formula C23H29N3O5S2 and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ChemDiv3_012739, BRD-A98244963-003-01-3, F0539-0014, methyl 6-methyl-2-(4-((2-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 6-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C23H29N3O5S2 |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 3.338 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.15488 |
| Heavy Atoms | 33 |
| Complexity | 1157.5046 |
Chemical Identifiers
| CAS Number | 486453-08-1 |
|---|---|
| SMILES | CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)OC |
Product Overview
ChemDiv3_012739 (CAS 486453-08-1), with molecular formula C23H29N3O5S2 and molecular weight 491.15 g/mol. IUPAC: methyl 6-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_012739
Property Insights of ChemDiv3_012739
The XLogP value of 3.338 indicates that ChemDiv3_012739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012739. Following Lipinski's Rule of Five, ChemDiv3_012739 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 ChemDiv3_012739?
The CAS number of ChemDiv3_012739 is 486453-08-1.
What is the molecular formula of ChemDiv3_012739?
The molecular formula of ChemDiv3_012739 is C23H29N3O5S2.
What is the molecular weight of ChemDiv3_012739?
The molecular weight of ChemDiv3_012739 is 491.15 g/mol.
Where can I buy ChemDiv3_012739?
You can request a quote for ChemDiv3_012739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012739?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.