Cbatpaa
TL;DR: Cbatpaa (CAS 132910-79-3) is a chemical compound with molecular formula C44H69Cl2N5O12S and molecular weight 961.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylcarbamothioylamino]phenyl]propanoic acid;dihydrochloride
Also Known As: Cbatpaa, N-Carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-(N'-(2-((3,7,12-trihydroxycholan-24-oyl)amino)ethyl)(thioureido)phenyl)alanine, 2-Methyl 1-(2-methyl-2-propanyl) 1,2-piperidinedicarboxylate, (2S)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylcarbamothioylamino]phenyl]propanoic acid;dihydrochloride, (2S)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylcarbamothi
| Molecular Formula | C44H69Cl2N5O12S |
|---|---|
| Molecular Weight | 961.40 g/mol |
| LogP | 3.164 |
| Topological Polar Surface Area | 269.53 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 961.40405 |
| Heavy Atoms | 64 |
| Complexity | 1767.8512 |
Chemical Identifiers
| CAS Number | 132910-79-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCNC(=S)NC1=CC=C(C=C1)C[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)[C@H]2CCC3[C@@]2([C@H](CC4C3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C.Cl.Cl |
Product Overview
Cbatpaa (CAS 132910-79-3), with molecular formula C44H69Cl2N5O12S and molecular weight 961.40 g/mol. IUPAC: (2S)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylcarbamothioylamino]phenyl]propanoic acid;dihydrochloride.
Chemical Property Profile of Cbatpaa
Property Insights of Cbatpaa
The XLogP value of 3.164 indicates that Cbatpaa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 269.53 Ų indicates high polarity, suggesting Cbatpaa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbatpaa has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cbatpaa?
The CAS number of Cbatpaa is 132910-79-3.
What is the molecular formula of Cbatpaa?
The molecular formula of Cbatpaa is C44H69Cl2N5O12S.
What is the molecular weight of Cbatpaa?
The molecular weight of Cbatpaa is 961.40 g/mol.
Where can I buy Cbatpaa?
You can request a quote for Cbatpaa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cbatpaa?
Yes, KEHONG BIO provides custom synthesis services for Cbatpaa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.